SCHEMBL3879991

SCHEMBL3879991

CCOC(=O)c1cc(C(=O)O)ncc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ASPH Q12797 2/20 0.42
KDM8 Q8N371 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41

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
SCHEMBL9318633 0.84 KDM4E (0.49) ALDH1A1SMN1; SMN2CYP2C9CYP2C19TSHR
SCHEMBL3886250 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TSHRKDM4EMEN1
SCHEMBL12359381 0.83 TSHR (0.46) ALDH1A1SMN1; SMN2TSHRKDM4EMEN1
SCHEMBL2249995 0.83 TSHR (0.46) ALDH1A1SMN1; SMN2CYP2C9CYP2C19TSHR
SCHEMBL15770624 0.80 CYP4F2 (0.46) ALDH1A1SMN1; SMN2CYP2C9CYP2C19TSHR
SCHEMBL20522604 0.79 NNMT (0.45) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL8220004 0.78 KDM4E (0.60) ALDH1A1SMN1; SMN2TSHRHSD17B10KDM4E
SCHEMBL11763447 0.77 TSHR (0.59) ALDH1A1SMN1; SMN2CYP2C9CYP2C19TSHR
SCHEMBL7570621 0.77 TSHR (0.59) ALDH1A1SMN1; SMN2CYP2C9CYP2C19TSHR
SCHEMBL24550780 0.77 KDM4E (0.49) ALDH1A1SMN1; SMN2TSHRHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566784-B2 Bicyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-28 US disclosed
EP-1742948-A2 BICYCLIC HETEROCYCLES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-17 EP disclosed
WO-2005116028-A2 BICYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-08 WO disclosed
US-20050239820-A1 Bicyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-10-27 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 (1 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-20050239820-A1 Bicyclic heterocycles as kinase inhibitors CDK2, ABL1, CDKN1A ALDH1A1 2213/4885SMN1; SMN2 4448/4885CYP2C9 2165/4885

“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.