SCHEMBL1137040

SCHEMBL1137040

Nc1ccc(Cc2ccnc(N)c2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.48
NOS3 P29474 4/20 0.47
NOS2 P35228 4/20 0.47
NOS1 P29475 3/20 0.47
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42

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
SCHEMBL14243495 0.86 ADRA2B (0.47) ADRA2BNOS3NOS2NOS1GABRP
SCHEMBL27691313 0.80 GABRP (0.47) NOS3NOS2NOS1GABRPGABRD
SCHEMBL31175764 0.77 CYP3A4 (0.52) ADRA2BLOXL2
SCHEMBL10718351 0.77 CYP3A4 (0.52) ADRA2BLOXL2
SCHEMBL2255506 0.77 GABRP (0.47) NOS3NOS2NOS1GABRPGABRD
SCHEMBL26037690 0.76 ADRA2B (0.50) ADRA2BMPOMEN1KMT2A
SCHEMBL31175766 0.76 ADRA2B (0.50) ADRA2BMPOMEN1KMT2A
SCHEMBL29893424 0.74 HTR2A (0.50) ADRA2BLOXL2KDM4E
SCHEMBL3038627 0.74 TAAR1 (0.47) ADRA2BMPOLOXL2
SCHEMBL8765574 0.72 CYP3A4 (0.56) ADRA2BMPOLOXL2KDM4EMEN1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101128199-B Monocyclic heterocycles as kinase inhibitors BRISTOL MYERS SQUIBB CO 2013-07-24 CN disclosed
US-7989477-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-02 US disclosed
US-7989477-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-02 US disclosed
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
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-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US 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-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
US-7459562-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-7459562-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
WO-2008046216-A1 KINASE INHIBITORS AND USES THEREOF METHYLGENE, INC. (CA) 2008-04-24 WO disclosed
CN-101128199-A Monocyclic heterocycles as kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2008-02-20 CN 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 ADRA2B 3605/4885NOS3 2611/4885NOS2 2128/4885
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors CDK2, MAP3K19, CDK1 ADRA2B 3605/4885NOS3 2611/4885NOS2 2128/4885
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS CDK2, MAP3K19, CDK1 ADRA2B 3605/4885NOS3 2611/4885NOS2 2128/4885

“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.