SCHEMBL2950397

SCHEMBL2950397

Cc1cccc(Nc2c(C(N)=O)sc3c2ccc(=O)n3CC2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
EP300 Q09472 1/20 0.38
CREBBP Q92793 1/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CNR2 P34972 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
CSF1R P07333 1/20 0.36
MAPT P10636 2/20 0.36
ICMT O60725 1/20 0.36
NPC1 O15118 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GFER P55789 1/20 0.35
PSMD14 O00487 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2947096 0.89 MAPT (0.38) BRD4CREBBPSMN1; SMN2CNR2MAPT
SCHEMBL2949022 0.88 CDK4 (0.40) BRD4CREBBPKDM4ECNR2CSF1R
SCHEMBL2950366 0.87 DHODH (0.39) CSF1RMAPTKMT2AMEN1ALDH1A1
SCHEMBL2957886 0.85 THRB (0.39) RAB9AKDM4EMAPTKMT2AMEN1
SCHEMBL2956676 0.85 CSF1R (0.38) CNR2DRD4CSF1RMAPTALDH1A1
SCHEMBL2956929 0.84 RAB9A (0.39) BRD4EP300CREBBPRAB9ASMN1; SMN2
SCHEMBL2958242 0.83 IDO1 (0.37) BRD4EP300CREBBPRAB9AKDM4E
SCHEMBL2958644 0.81 RAB9A (0.39) RAB9ASMN1; SMN2KDM4ECSF1RMAPT
SCHEMBL2953780 0.81 AADAT (0.39) SMN1; SMN2CSF1RMAPTICMTKMT2A
SCHEMBL2956387 0.79 MAPT (0.43) RAB9ASMN1; SMN2KDM4ECSF1RMAPT

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 BRD4 1488/4885EP300 1168/4885CREBBP 2317/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 BRD4 1844/4885EP300 1562/4885CREBBP 2510/4885

“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.