SCHEMBL2978802

SCHEMBL2978802

CSc1ccc(-c2nc3cc(N)cnc3[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
RXFP1 Q9HBX9 3/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
KDM4E B2RXH2 6/20 0.40
MAPT P10636 6/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 5/20 0.40
GLA P06280 4/20 0.40
GFER P55789 4/20 0.40
GAA P10253 4/20 0.40
RECQL P46063 2/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 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
SCHEMBL5621043 0.85 ALDH1A1 (0.54) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL985911 0.84 CDK5 (0.50) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL987245 0.81 MMP2 (0.52) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL985864 0.81 ALDH1A1 (0.47) ALOX5MEN1KMT2ARXFP1CACNA1B
SCHEMBL988039 0.81 ALDH1A1 (0.56) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL986878 0.81 ALDH1A1 (0.54) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL986771 0.81 NPC1 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL987859 0.81 AURKA (0.50) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL983953 0.80 ALDH1A1 (0.45) ALOX5MEN1KMT2ARXFP1CACNA1B
SCHEMBL2977857 0.78 ALOX5 (0.48) ALOX5MEN1KMT2AALDH1A1SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786113-B2 Heterocyclic carbamate derivatives, their manufacture and use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2010-08-31 US disclosed
US-7618964-B2 Benzamide derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-11-17 US 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-1831218-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP 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

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-20080009492-A1 Heterocyclic Carbamate Derivatives, Their Manufacture And Use As Pharmaceutical Agents RCC2, ACMSD, CPS1 ALOX5 869/4885MEN1 148/4885KMT2A 2359/4885
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents TMBIM6, BAK1, CYP3A5 ALOX5 565/4885MEN1 637/4885KMT2A 2222/4885

“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.