SCHEMBL6252591

SCHEMBL6252591

Cc1ccc(-c2cc(-c3ccccc3Cl)c(C#N)c(N)n2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 1.00
▸ KDM4E B2RXH2 10/20 1.00
▸ HPGD P15428 9/20 1.00
▸ MAPT P10636 8/20 1.00
▸ PKM P14618 7/20 1.00
▸ MEN1 O00255 7/20 1.00
▸ KMT2A Q03164 7/20 1.00
▸ GAA P10253 6/20 1.00
▸ ALOX12 P18054 5/20 1.00
▸ ALOX15 P16050 3/20 1.00
▸ CASP1 P29466 3/20 1.00
▸ HSD17B10 Q99714 3/20 1.00
▸ CASP7 P55210 2/20 1.00
▸ USP2 O75604 2/20 1.00
▸ GLA P06280 4/20 0.72
▸ LMNA P02545 2/20 0.72
▸ TSHR P16473 2/20 0.69
▸ HTT P42858 2/20 0.65
▸ NPSR1 Q6W5P4 2/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65

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
SCHEMBL6253975 0.84 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDMAPTPKM
SCHEMBL6251257 0.74 ADORA2A (0.75) ALDH1A1KDM4EHPGDMAPTPKM
SCHEMBL6253026 0.74 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDMAPTPKM
SCHEMBL22845544 0.69 KDM4E (0.53) ALDH1A1KDM4EHPGDMAPTPKM
SCHEMBL1616485 0.69 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDMAPTPKM
SCHEMBL3369385 0.68 ADORA1 (0.78) KDM4EHPGDMEN1KMT2AGAA
SCHEMBL930995 0.67 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDMAPTPKM
SCHEMBL13514538 0.67 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDMAPTPKM
SCHEMBL20658616 0.66 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMAPTPKM
SCHEMBL6251462 0.66 ADORA1 (0.69) ALDH1A1KDM4EHPGDMAPTMEN1

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 12 patents. 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-1569645-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS Pharmacia Corporation (US) 2005-09-07 — — EP disclosed
EP-1569932-A1 AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 Pharmacia Corporation (US) 2005-09-07 — — EP disclosed
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION (US) 2004-07-22 — — 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

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

For each of this compound's patents that has machine-readable text (2 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 4315/4885KDM4E 1736/4885HPGD 1207/4885
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 MAP4K2, MAP3K20, MAPKAPK2 ALDH1A1 3796/4885KDM4E 1684/4885HPGD 806/4885

“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.

Send feedback