SCHEMBL1421332

SCHEMBL1421332

COC(=O)c1c(C)cc(-c2cccc(C(F)(F)F)c2)nc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KMO O15229 2/20 0.44
ADORA2A P29274 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
SDHB P21912 1/20 0.44
XDH P47989 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PIN1 Q13526 1/20 0.43
CFTR P13569 1/20 0.43
SIRT5 Q9NXA8 1/20 0.42
F2RL3 Q96RI0 1/20 0.42
CNR2 P34972 2/20 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
SCHEMBL1423201 0.89 KDM4E (0.45) MAPTMEN1KMT2AKMOADORA2A
SCHEMBL1085063 0.87 KMO (0.46) MAPTMEN1KMT2AKMOADORA2A
SCHEMBL1420936 0.86 KMO (0.53) MAPTMEN1KMT2AKMOADORA2A
SCHEMBL1085386 0.81 ALDH1A1 (0.57) MAPTMEN1KMT2AKMOALDH1A1
SCHEMBL1085513 0.79 CYP3A4 (0.49) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL1085376 0.79 XDH (0.56) MAPTMEN1KMT2AKMOADORA2A
SCHEMBL1085196 0.79 KMO (0.50) MAPTMEN1KMT2AKMOADORA2A
SCHEMBL3873524 0.78 KMO (0.52) MAPTMEN1KMT2AKMOADORA2A
SCHEMBL4427485 0.77 SMN1; SMN2 (0.60) MAPTMEN1KMT2AKMOALDH1A1
SCHEMBL1085229 0.76 KDM4E (0.42) MAPTMEN1KMT2AKMOALDH1A1

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
CN-102066359-B Novel heteroaryl carboxamide derivatives HOFFMANN LA ROCHE 2013-08-21 CN disclosed
US-8227613-B2 Heteroaryl carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
CN-102066359-A Novel heteroaryl carboxamide derivatives HOFFMANN LA ROCHE 2011-05-18 CN disclosed
EP-2297137-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
US-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
WO-2009153182-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO 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-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES CCR3, CCR2, CCR1 MAPT 4476/4885MEN1 3975/4885KMT2A 1597/4885

“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.