SCHEMBL3882473

SCHEMBL3882473

CCOC(=O)Nc1nccc2[nH]cc(I)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
NUDT1 P36639 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NTRK1 P04629 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.35
IMPDH2 P12268 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDR P35968 2/20 0.35
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3887252 0.75 NUDT1 (0.51) KMT2ANUDT1CYP1A2CYP2C9CYP2C19
SCHEMBL13759612 0.71 ATR (0.41) KMT2AKDM4EALDH1A1MAPK1
SCHEMBL21206911 0.68 RAB9A (0.61) KMT2ACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL17857742 0.67 NPC1 (0.53) KMT2ACYP1A2CYP2C19SMN1; SMN2KDM4E
SCHEMBL9850789 0.67 ALDH1A1 (0.54) KMT2ACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5591930 0.67 HTT (0.55) KMT2ACYP1A2CYP2C19SMN1; SMN2KDM4E
SCHEMBL27736344 0.67 KDM4E (0.46) KMT2ACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL30633361 0.66 PIK3C3 (0.48) KMT2ACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2008015 0.65 NPC1 (0.44) KMT2ACYP1A2CYP2C9CYP2C19NTRK1
SCHEMBL9502644 0.65 HTT (0.71) KMT2ACYP1A2CYP2C19SMN1; SMN2KDM4E

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 KMT2A 506/4885NUDT1 1199/4885CYP1A2 1815/4885

“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.