SCHEMBL2060054

SCHEMBL2060054

O=C(O)c1cccc(Oc2cnc3[nH]c(-c4ccccc4)cc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.52
RIPK1 Q13546 1/20 0.48
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KIT P10721 7/20 0.45
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
FABP1 P07148 1/20 0.44
KMO O15229 1/20 0.43
BRD4 O60885 1/20 0.43
CHEK2 O96017 1/20 0.43
NR4A2 P43354 1/20 0.43
ULK1 O75385 1/20 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
SCHEMBL2060048 0.80 HDAC6 (0.54) RIPK1CASP3SENP8SENP7SENP6
SCHEMBL15823444 0.77 KIT (0.70) KITULK1
SCHEMBL2060098 0.76 KIT (0.54) KIT
SCHEMBL6814159 0.75 AKR1C3 (0.52) AKR1C3KMOCHEK2NR4A2
SCHEMBL31447630 0.74 ULK1 (0.71) KITULK1
SCHEMBL1779950 0.74 KDM4E (0.57) RIPK1CASP3SENP8SENP7SENP6
SCHEMBL29011339 0.74 KIT (0.47) RIPK1KITBRD4ULK1
SCHEMBL1778117 0.73 HDAC6 (0.53) RIPK1KITBRD4ULK1
SCHEMBL5042777 0.72 AKR1C3 (0.79) AKR1C3FABP1KMONR4A2
M-Phenoxybenzoic Acid For Cis-Isomer SCHEMBL30445868 0.72 AKR1C3 (1.00) AKR1C3FABP1KMONR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081928-B1 Pyrrolo-pyridine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP disclosed
US-8148361-B2 Kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-20100041636-A1 NOVEL KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
EP-2081928-A2 PYRROLO-PYRIDINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-07-29 EP disclosed
WO-2008060907-A2 PYRROLO-PYRIDINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-22 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-20100041636-A1 NOVEL KINASE INHIBITORS IGF1R, FGFR1, FLT1 AKR1C3 1329/4885RIPK1 850/4885CASP3 2766/4885

“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.