SCHEMBL15946997

SCHEMBL15946997

COc1ccc(Cn2nnc(-c3ccccc3)c2C(C)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.66
AKR1C3 P42330 8/20 0.59
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
TOP2A P11388 1/20 0.47

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
SCHEMBL28328678 0.82 PTGER4 (0.54) PTGER4AKR1C3ERCC5FEN1ALDH1A1
SCHEMBL8890615 0.82 HTT (0.51) PTGER4AKR1C3ERCC5FEN1ALDH1A1
SCHEMBL1412545 0.80 PDE8B (0.50) PTGER4AKR1C3ERCC5FEN1ALDH1A1
SCHEMBL10140272 0.78 MEN1 (0.48) PTGER4AKR1C3ERCC5FEN1HTT
SCHEMBL8887875 0.77 MEN1 (0.51) PTGER4AKR1C3ERCC5FEN1HTT
SCHEMBL15243013 0.74 AKR1C3 (0.52) PTGER4AKR1C3ERCC5FEN1ALDH1A1
SCHEMBL1412463 0.73 PDE8B (0.44) PTGER4AKR1C3ERCC5FEN1ALDH1A1
SCHEMBL19927471 0.72 PTGS2 (0.56) ALDH1A1
SCHEMBL10140278 0.72 SMN1; SMN2 (0.48) PTGER4AKR1C3ERCC5FEN1HTT
SCHEMBL1412402 0.72 ALOX15 (0.52) PTGER4AKR1C3ERCC5FEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2016-10-20 US disclosed
US-9221805-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors Spacefill Enterprises LLP (US) 2015-12-29 US disclosed
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 US 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 (2 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-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 PTGER4 4564/4885AKR1C3 2604/4885ERCC5 2991/4885
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 PTGER4 4564/4885AKR1C3 2604/4885ERCC5 2991/4885

“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.