SCHEMBL2960372

SCHEMBL2960372

Cc1ccc(-n2c(=O)ccc3c(N)c(C#N)sc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
KDM4E B2RXH2 7/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CRHBP P24387 1/20 0.41
MAPK1 P28482 1/20 0.41
CRHR2 Q13324 1/20 0.41
HPGD P15428 6/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 3/20 0.40
RXFP1 Q9HBX9 2/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 4/20 0.36
POLB P06746 3/20 0.36
HSD17B10 Q99714 3/20 0.35
APOBEC3G Q9HC16 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL2780092 0.86 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2MAPK1HPGD
SCHEMBL2955547 0.84 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2CRHBPMAPK1
SCHEMBL2955709 0.80 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2HPGDMEN1
SCHEMBL2949358 0.78 EP300 (0.37) ALDH1A1KDM4ESMN1; SMN2MAPK1MEN1
SCHEMBL2781367 0.75 HTT (0.38) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL2947088 0.75 IDO1 (0.39) ALDH1A1KDM4ESMN1; SMN2CRHBPMAPK1
SCHEMBL1265636 0.74 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2960348 0.73 LMNA (0.36) ALDH1A1KDM4ECRHBPMAPK1CRHR2
SCHEMBL2959253 0.71 KDM4E (0.38) ALDH1A1KDM4ESMN1; SMN2MAPK1MEN1
SCHEMBL2955623 0.71 KDM4E (0.36) ALDH1A1KDM4EHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763729-B2 Bicyclic heteroaromatic derivatives UCB PHARMA S.A. (BE) 2010-07-27 US disclosed
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives CELLTECH R&D LIMITED (GB) 2009-02-12 US disclosed
US-7482452-B2 Process for preparing 3-aminothienopyridone derivatives CELLTECH R&D LIMITED (GB) 2009-01-27 US disclosed
EP-1638980-B1 PROCESS FOR PREPARING 3-AMINOTHIENOPYRIDONE DERIVATIVES UCB PHARMA SA (BE) 2008-11-05 EP disclosed
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US disclosed
US-20070191608-A1 Process for preparing 3-aminothienopyridone derivatives CELLTECH R&D LIMITED (GB) 2007-08-16 US disclosed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 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 (3 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-20070191608-A1 Process for preparing 3-aminothienopyridone derivatives MAPK3, MAP3K6, MAP4K1 ALDH1A1 1970/4885KDM4E 1879/4885SMN1; SMN2 3748/4885
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK ALDH1A1 1045/4885KDM4E 2174/4885SMN1; SMN2 3637/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 ALDH1A1 717/4885KDM4E 2211/4885SMN1; SMN2 3472/4885

“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.