SCHEMBL2260436

SCHEMBL2260436

CCOC(=O)C(C#N)=Cc1ccc(Cl)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.66
ALDH1A1 P00352 9/20 0.62
HTT P42858 2/20 0.62
PKM P14618 1/20 0.62
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.60
PDCD1 Q15116 1/20 0.59
CD274 Q9NZQ7 1/20 0.59
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
KDM4E B2RXH2 2/20 0.58
PTP4A1 Q93096 1/20 0.55
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53

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
SCHEMBL2260434 1.00 MAPT (0.66) MAPTALDH1A1HTTPKMKMT2A
SCHEMBL15082797 0.88 ALDH1A1 (0.67) MAPTALDH1A1HTTPKMKMT2A
SCHEMBL3610678 0.88 ALDH1A1 (0.67) MAPTALDH1A1HTTPKMKMT2A
SCHEMBL3610679 0.88 ALDH1A1 (0.67) MAPTALDH1A1HTTPKMKMT2A
SCHEMBL2139676 0.82 ALDH1A1 (0.81) MAPTALDH1A1HTTPKMKMT2A
SCHEMBL2139678 0.82 ALDH1A1 (0.81) MAPTALDH1A1HTTPKMKMT2A
SCHEMBL4317761 0.82 ALDH1A1 (0.81) MAPTALDH1A1HTTPKMKMT2A
SCHEMBL2138516 0.81 ALDH1A1 (0.80) MAPTALDH1A1HTTPKMKMT2A
SCHEMBL2138512 0.81 ALDH1A1 (0.80) MAPTALDH1A1HTTPKMKMT2A
SCHEMBL7466439 0.81 MAPT (0.71) MAPTALDH1A1HTTPKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 US disclosed
US-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 US disclosed
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-10-06 US disclosed
EP-2049500-B1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-09-07 EP disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US disclosed
EP-2049500-A1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-04-22 EP disclosed
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer GENENTECH, INC. 2008-03-06 US disclosed
WO-2008006032-A1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 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 (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-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer PIK3CA, DPYD, CDK2 MAPT 460/4885ALDH1A1 1144/4885HTT 1708/4885
US-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 MAPT 623/4885ALDH1A1 2573/4885HTT 2644/4885
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 MAPT 623/4885ALDH1A1 2573/4885HTT 2644/4885

“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.