SCHEMBL2956492

SCHEMBL2956492

N#Cc1sc2c(ccc(=O)n2-c2cccnc2)c1Nc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
RAB9A P51151 5/20 0.36
NPC1 O15118 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX12 P18054 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
RAD52 P43351 1/20 0.35
CSNK2A1 P68400 1/20 0.34
EP300 Q09472 1/20 0.33
KAT2B Q92831 1/20 0.33

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
SCHEMBL2959762 0.89 CDK4 (0.38) CDK4CCND1CCND2CCND3ALDH1A1
SCHEMBL2957258 0.80 CCNA2 (0.41) CDK4CCND1CCND2CCND3RAB9A
SCHEMBL2949358 0.80 EP300 (0.37) KMT2AALDH1A1CYP1A2SMN1; SMN2ALOX12
SCHEMBL2960714 0.80 EP300 (0.37) KMT2AALDH1A1ALOX12EP300KAT2B
SCHEMBL2958074 0.79 MAP2K1 (0.39) SMN1; SMN2MAPT
SCHEMBL2954060 0.79 NPC1 (0.37) RAB9ANPC1KMT2AALDH1A1HPGD
SCHEMBL2958784 0.79 IDO1 (0.39) RAB9ANPC1KMT2AALDH1A1HPGD
SCHEMBL2956795 0.79 MAP2K1 (0.34) CDK4CCND1CCND2CCND3KMT2A
SCHEMBL2958665 0.78 WEE1 (0.35) ALDH1A1CYP2C19MAPTMAT2A
SCHEMBL2955761 0.77 TDO2 (0.42) RAB9AKMT2AADORA2AMEN1MAPT

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-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US claimed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 US claimed
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-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 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 (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-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK CDK4 743/4885CCND1 655/4885CCND2 932/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 CDK4 689/4885CCND1 533/4885CCND2 932/4885

“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.