SCHEMBL986878

SCHEMBL986878

Nc1cnc2[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
HPGD P15428 6/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
MAPT P10636 6/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
KDM4E B2RXH2 5/20 0.54
GAA P10253 4/20 0.54
GFER P55789 3/20 0.54
GLA P06280 2/20 0.54
HTT P42858 1/20 0.54
RCE1 Q9Y256 1/20 0.54
HSD17B10 Q99714 4/20 0.45
TP53 P04637 3/20 0.45
POLB P06746 2/20 0.45
TNKS O95271 2/20 0.44
PARP1 P09874 2/20 0.44
TNKS2 Q9H2K2 2/20 0.44
PRMT1 Q99873 1/20 0.44
USP2 O75604 2/20 0.44

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
SCHEMBL5621043 0.89 ALDH1A1 (0.54) ALDH1A1HPGDSMN1; SMN2MAPTNPC1
SCHEMBL983953 0.86 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2MAPTNPC1
SCHEMBL987203 0.85 MAPT (0.60) ALDH1A1HPGDSMN1; SMN2MAPTNPC1
SCHEMBL988039 0.84 ALDH1A1 (0.56) ALDH1A1HPGDSMN1; SMN2MAPTNPC1
SCHEMBL985911 0.84 CDK5 (0.50) ALDH1A1HPGDSMN1; SMN2MAPTNPC1
SCHEMBL985864 0.84 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2MAPTNPC1
SCHEMBL987245 0.84 MMP2 (0.52) ALDH1A1HPGDSMN1; SMN2MAPTNPC1
SCHEMBL984463 0.84 HRH1 (0.48) ALDH1A1HPGDSMN1; SMN2MAPTNPC1
SCHEMBL986735 0.84 HRH1 (0.48) ALDH1A1HPGDSMN1; SMN2MAPTNPC1
SCHEMBL13608162 0.83 AXL (0.51) ALDH1A1HPGDSMN1; SMN2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024219864-A1 NOVEL COMPOUND EXHIBITING SETDB1 INHIBITORY ACTIVITY, AND USE THEREOF 주식회사 넷타겟 2024-10-24 WO disclosed
EP-2265609-B1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-05 EP disclosed
EP-1919910-B1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2011-02-23 EP disclosed
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. 2011-01-06 US disclosed
EP-2265609-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
US-7786113-B2 Heterocyclic carbamate derivatives, their manufacture and use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2010-08-31 US disclosed
US-7776878-B2 Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2010-08-17 US disclosed
US-7776878-B2 Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2010-08-17 US disclosed
US-20100120840-A1 Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG (CH) 2010-05-13 US disclosed
US-20100120840-A1 Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG (CH) 2010-05-13 US disclosed
EP-1919910-A1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS F. Hoffmann-la Roche AG (CH) 2008-05-14 EP disclosed
EP-1912987-A1 HETEROCYCLIC BENZYLAMINO DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2008-04-23 EP disclosed
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2008-02-14 US disclosed
US-20080009492-A1 Heterocyclic Carbamate Derivatives, Their Manufacture And Use As Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-01-10 US disclosed
EP-1833829-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2007-09-19 EP disclosed
EP-1831218-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP disclosed
WO-2007017143-A1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed
WO-2007014707-A1 HETEROCYCLIC BENZYLAMINO DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed
WO-2006066914-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
WO-2006066913-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 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 (4 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-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS BRAF, RAF1, ARAF ALDH1A1 1091/4885HPGD 1413/4885SMN1; SMN2 2594/4885
US-20080009492-A1 Heterocyclic Carbamate Derivatives, Their Manufacture And Use As Pharmaceutical Agents RCC2, ACMSD, CPS1 ALDH1A1 526/4885HPGD 367/4885SMN1; SMN2 4232/4885
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents TMBIM6, BAK1, CYP3A5 ALDH1A1 31/4885HPGD 495/4885SMN1; SMN2 2821/4885
US-20100120840-A1 Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents CYP3A5, ABCB1, CYP3A43 ALDH1A1 74/4885HPGD 59/4885SMN1; SMN2 2294/4885

“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.