SCHEMBL564697

SCHEMBL564697

COc1ccnc(N)c1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 5/20 0.50
KMT2A Q03164 4/20 0.50
GAA P10253 3/20 0.50
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48
RAB9A P51151 3/20 0.48
GFER P55789 2/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 1/20 0.48
KDM4E B2RXH2 6/20 0.47
HPGD P15428 4/20 0.47
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
USP2 O75604 1/20 0.41
GLA P06280 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9846269 0.79 ALDH1A1 (0.67) ALDH1A1L3MBTL1HTTMAPK1MAPT
SCHEMBL8427710 0.79 ALDH1A1 (0.58) ALDH1A1L3MBTL1HTTMAPK1MAPT
SCHEMBL5480724 0.79 ALDH1A1 (0.56) ALDH1A1L3MBTL1HTTMAPTKMT2A
SCHEMBL30672632 0.78 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTMAPK1MAPT
SCHEMBL23285677 0.78 ALDH1A1 (0.53) ALDH1A1L3MBTL1HTTMAPK1MAPT
SCHEMBL172315 0.78 ALDH1A1 (0.53) ALDH1A1L3MBTL1HTTMAPK1MAPT
SCHEMBL29530414 0.78 MAPK1 (0.59) ALDH1A1L3MBTL1HTTMAPK1MAPT
SCHEMBL1313329 0.78 MAPK1 (0.59) ALDH1A1L3MBTL1HTTMAPK1MAPT
SCHEMBL28444034 0.77 ALDH1A1 (0.36) ALDH1A1L3MBTL1HTTMAPK1MAPT
SCHEMBL5481379 0.77 KDM4E (0.46) ALDH1A1L3MBTL1HTTMAPK1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569645-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS Pharmacia Corporation (US) 2005-09-07 EP claimed
EP-1569932-A1 AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 Pharmacia Corporation (US) 2005-09-07 EP claimed
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION (US) 2004-07-22 US claimed
WO-2004055015-A1 AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 PHARMACIA CORPORATION (US) 2004-07-01 WO claimed
WO-2004054505-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2004-07-01 WO claimed
US-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION 2004-07-01 US claimed
EP-4558498-A1 NOVEL IMIDAZOPYRIDINE AND PYRAZOLOPYRIDINE SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-05-28 EP disclosed
CN-119546608-A Novel imidazopyridine and pyrazolopyridine sulfonamide derivatives 豪夫迈·罗氏有限公司 2025-02-28 CN disclosed
WO-2024017857-A1 NOVEL IMIDAZOPYRIDINE AND PYRAZOLOPYRIDINE SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-01-25 WO disclosed
US-20210128552-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2021-05-06 US disclosed
US-20190142826-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-05-16 US disclosed
US-10058549-B2 Imidazo[1,2-α]pyridine derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2018-08-28 US disclosed
US-10005785-B2 Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
WO-2004055015-A1 AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 PHARMACIA CORPORATION (US) 2004-07-01 WO disclosed
WO-2004054505-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2004-07-01 WO disclosed
US-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION 2004-07-01 US disclosed
EP-1303282-A4 PYRIDO[2,3-D]PYRIMIDINE AND PYRIMIDO[4,5-D]PYRIMIDINE NUCLEOSIDES RIBAPHARM INC (US) 2004-04-07 EP disclosed
US-20030144502-A1 Pyrido[2,3-d]pyrimidine and pyrimido[4,5-d]pyrimidine nucleosides MDRNA RESEARCH, INC. 2003-07-31 US disclosed
EP-1303282-A1 PYRIDO[2,3-D]PYRIMIDINE AND PYRIMIDO[4,5-D]PYRIMIDINE NUCLEOSIDES Ribapharm, Inc. (US) 2003-04-23 EP disclosed
WO-2002003997-A1 PYRIDO[2,3-D]PYRIMIDINE AND PYRIMIDO[4,5-D]PYRIMIDINE NUCLEOSIDES RIBAPHARM INC. (US) 2002-01-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP2K2, MAP3K2 ALDH1A1 4315/4885L3MBTL1 4860/4885HTT 4281/4885
US-10058549-B2 Imidazo[1,2-α]pyridine derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto HTR1A, HTR2A, HTR5A ALDH1A1 1065/4885L3MBTL1 4627/4885HTT 1862/4885
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 MAP4K2, MAP3K20, MAPKAPK2 ALDH1A1 3796/4885L3MBTL1 4809/4885HTT 3996/4885
US-20030144502-A1 Pyrido[2,3-d]pyrimidine and pyrimido[4,5-d]pyrimidine nucleosides DPYD, TYMP, PNPO ALDH1A1 1759/4885L3MBTL1 1232/4885HTT 4610/4885
US-20210128552-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR1A, HTR2A, HTR2B ALDH1A1 1348/4885L3MBTL1 4230/4885HTT 1866/4885
US-10005785-B2 Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors GRM2, GRM5, GRM1 ALDH1A1 3723/4885L3MBTL1 4540/4885HTT 1590/4885
US-20190142826-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR1A, HTR2A, HTR5A ALDH1A1 1056/4885L3MBTL1 4591/4885HTT 1828/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.