SCHEMBL1367640

SCHEMBL1367640

CCOC(=O)c1cccc(C(C)C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
ACACB O00763 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL2522006 0.84 LOXL2 (0.46) CYP4F2CYP4A11ALDH1A1TSHRKMT2A
SCHEMBL641761 0.83 CYP4F2 (0.54) CYP4F2CYP4A11NPSR1CA12CA1
SCHEMBL27974845 0.81 CYP4F2 (0.55) CYP4F2CYP4A11NPSR1CA12CA1
SCHEMBL1790947 0.81 CYP4F2 (0.51) CYP4F2CYP4A11NPSR1CA12CA1
SCHEMBL16955961 0.81 CYP4F2 (0.51) CYP4F2CYP4A11NPSR1CA12CA1
SCHEMBL9454421 0.79 USP2 (0.50) CYP4F2CYP4A11NPSR1CA12CA1
SCHEMBL9431319 0.79 CYP4F2 (0.52) CYP4F2CYP4A11NPSR1CA12CA1
SCHEMBL1041491 0.79 CYP4F2 (0.52) CYP4F2CYP4A11NPSR1CA12CA1
SCHEMBL20032256 0.79 CYP4F2 (0.52) CYP4F2CYP4A11NPSR1CA12CA1
SCHEMBL2446964 0.79 ANPEP (0.50) CA12CA1CA2CA9ALDH1A1

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-8067599-B2 Imidazo [4,5-B] pyridine and pyrrolo [2,3-B] pyridine protein kinase inhibitors HOFFMAN-LA ROCHE INC. (US) 2011-11-29 US disclosed
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
EP-2064213-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2009-06-03 EP disclosed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 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-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K5, MAP3K1, PRKACA CYP4F2 1018/4885CYP4A11 1538/4885NPSR1 4351/4885

“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.