SCHEMBL1137192

SCHEMBL1137192

C#CC1=CCC(NC(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.39
DRD4 P21917 6/20 0.39
DRD3 P35462 6/20 0.39
JAK1 P23458 5/20 0.34
DRD1 P21728 2/20 0.34
HTR2A P28223 2/20 0.34
POLB P06746 2/20 0.33
CASP6 P55212 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
JAK2 O60674 1/20 0.32
TYK2 P29597 1/20 0.32
NAMPT P43490 2/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
GRM5 P41594 1/20 0.31
ROCK2 O75116 1/20 0.30

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
SCHEMBL15939245 0.83 DRD3 (0.39) DRD3JAK1POLBCASP6CTDSP1
SCHEMBL1137017 0.77 DRD2 (0.46) DRD2DRD4DRD3JAK1POLB
SCHEMBL24473935 0.75 DRD2 (0.46) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL28413199 0.75 POLB (0.45) POLBCASP6CTDSP1TDP1MTNR1A
SCHEMBL28413023 0.75 POLB (0.45) POLBCASP6CTDSP1TDP1MTNR1A
SCHEMBL13734425 0.75 POLB (0.45) POLBCASP6CTDSP1TDP1MTNR1A
SCHEMBL2773188 0.74 POLB (0.35) POLBCASP6CTDSP1TDP1
SCHEMBL19359218 0.73 NAMPT (0.46) JAK1NAMPTROCK2
SCHEMBL17459934 0.72 DRD2 (0.31) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL27007783 0.72 POLB (0.34) JAK1POLBCASP6CTDSP1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989477-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-02 US disclosed
EP-1737451-B1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-7714138-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-11 US disclosed
US-20090054436-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-26 US disclosed
US-7459562-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
EP-1737451-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-03 EP disclosed
WO-2005117867-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-03 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-20090054436-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS CDK2, MAP3K19, CDK1 DRD2 4729/4885DRD4 4806/4885DRD3 4691/4885
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors CDK2, MAP3K19, CDK1 DRD2 4729/4885DRD4 4806/4885DRD3 4691/4885
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS CDK2, MAP3K19, CDK1 DRD2 4729/4885DRD4 4806/4885DRD3 4691/4885

“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.