SCHEMBL2953701

SCHEMBL2953701

Cc1cccc(Nc2c(C#N)sc3c2ccc(=O)n3-c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.36
JAK2 O60674 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
RIPK1 Q13546 1/20 0.33
MAT2A P31153 1/20 0.33
GRM5 P41594 3/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL2956202 0.88 SMN1; SMN2 (0.36) MAT2AALDH1A1SMN1; SMN2LMNAADORA2A
SCHEMBL2959762 0.81 CDK4 (0.38) KDM4EALDH1A1SMN1; SMN2ADORA2AADORA1
SCHEMBL2955895 0.81 MEN1 (0.35) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2956177 0.81 JAK2 (0.44) KDRJAK2NPC1RAB9AMEN1
SCHEMBL2958784 0.80 IDO1 (0.39) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2949354 0.80 MAPK14 (0.34) MAT2AADORA2AADORA1
SCHEMBL2960274 0.80 G6PD (0.30)
SCHEMBL2960754 0.79 EGFR (0.37) LMNAMAPT
SCHEMBL2952663 0.78 EGFR (0.38) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2956935 0.78

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 8 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 claimed
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives CELLTECH R&D LIMITED (GB) 2009-02-12 US claimed
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 KDR 1267/4885JAK2 130/4885NPC1 2692/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 KDR 1210/4885JAK2 110/4885NPC1 2803/4885

“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.