SCHEMBL2957258

SCHEMBL2957258

NC(=O)c1sc2c(ccc(=O)n2-c2cccnc2)c1Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
RAB9A P51151 2/20 0.39
CDK5 Q00535 3/20 0.39
CDK5R1 Q15078 3/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
DUSP3 P51452 1/20 0.38

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
SCHEMBL2958575 0.89 CDK4 (0.38) CCNA2CDK2RAB9ACDK5CDK5R1
SCHEMBL2952675 0.85 KMT2A (0.41) CCNA2CDK2RAB9ACDK5CDK5R1
SCHEMBL2955899 0.82 CSF1R (0.39) CCNA2CDK2RAB9AALDH1A1HPGD
SCHEMBL2956320 0.81 HPGD (0.34) CCNA2CDK2RAB9ACDK5CDK5R1
SCHEMBL2955772 0.81 CYP3A4 (0.39) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL2956492 0.80 CDK4 (0.38) RAB9AALDH1A1HPGDMEN1KMT2A
SCHEMBL2949958 0.80 CSF1R (0.44) RAB9AALDH1A1HPGDMEN1KMT2A
SCHEMBL2955616 0.80 TDO2 (0.41) ALDH1A1DUSP3CSF1RMAPTHTT
SCHEMBL2952784 0.80 NPC1 (0.41) CCNA2CDK2RAB9AALDH1A1MEN1
SCHEMBL2956387 0.80 MAPT (0.43) RAB9AALDH1A1MEN1KMT2AKDM4E

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 CCNA2 758/4885CDK2 184/4885RAB9A 3150/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 CCNA2 598/4885CDK2 216/4885RAB9A 2791/4885

“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.