SCHEMBL3659863

SCHEMBL3659863

O=C(Cc1ccc(Cl)c(F)c1)N1C(=O)OCC1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.40
CCR3 P51677 1/20 0.39
NAAA Q02083 3/20 0.39
FAAH O00519 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
KMT2A Q03164 1/20 0.37
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36

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
SCHEMBL3659859 1.00 HDAC1 (0.40) HDAC1CCR3NAAAFAAHSIGMAR1
SCHEMBL6426998 0.90 KMT2A (0.47) NAAAFAAHSIGMAR1KMT2AOPRM1
SCHEMBL925221 0.86 AR (0.39) HDAC1NAAAFAAHPPARAPPARG
SCHEMBL925222 0.86 AR (0.39) HDAC1NAAAFAAHPPARAPPARG
SCHEMBL925188 0.85 ATM (0.44) NAAAFAAHSIGMAR1KMT2A
SCHEMBL21804965 0.85 ATM (0.44) NAAAFAAHSIGMAR1KMT2A
SCHEMBL925185 0.85 ATM (0.44) NAAAFAAHSIGMAR1KMT2A
SCHEMBL2559137 0.85 CACNA1G (0.43) NAAAFAAHSIGMAR1
SCHEMBL191823 0.85 GFER (0.44) HDAC1NAAAFAAHSIGMAR1KMT2A
SCHEMBL2559140 0.85 CACNA1G (0.43) NAAAFAAHSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051217-A1 HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR ARRAY BIOPHARMA INC (US) 2015-02-19 US disclosed
US-8853216-B2 Hydroxylated pyrimidyl cyclopentane as AKT protein kinase inhibitor ARRAY BIOPHARMA, INC. (US) 2014-10-07 US disclosed
US-8841304-B2 Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-23 US disclosed
US-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-08-07 US disclosed
US-8372842-B2 Pyrazolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-02-12 US disclosed
EP-2240455-B1 HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR ARRAY BIOPHARMA INC (US) 2012-12-26 EP disclosed
EP-2242755-B1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-12 EP disclosed
EP-2242757-B1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-08-01 EP disclosed
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-12-23 US disclosed
US-20100292244-A1 HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR ARRAY BIOPHARMA INC. (US) 2010-11-18 US disclosed
US-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-11-04 US disclosed
EP-2242755-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-27 EP disclosed
EP-2242757-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-27 EP disclosed
EP-2240455-A1 HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR Array Biopharma, Inc. (US) 2010-10-20 EP disclosed
WO-2009089453-A9 HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR ARRAY BIOPHARMA INC. (US) 2009-11-05 WO disclosed
WO-2009089352-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 WO disclosed
WO-2009089453-A1 HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR ARRAY BIOPHARMA INC. (US) 2009-07-16 WO disclosed
WO-2009089359-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 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 (5 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-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B HDAC1 1137/4885CCR3 4091/4885NAAA 4656/4885
US-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B HDAC1 1070/4885CCR3 4017/4885NAAA 4513/4885
US-20100292244-A1 HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR AKT1, AKT2, PIK3CA HDAC1 1780/4885CCR3 3836/4885NAAA 4276/4885
US-20150051217-A1 HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR AKT1, AKT2, PIK3CA HDAC1 1677/4885CCR3 3814/4885NAAA 4336/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B HDAC1 1107/4885CCR3 4024/4885NAAA 4461/4885

“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.