SCHEMBL404141

SCHEMBL404141

COC(=O)c1ccc2c(=O)[nH]c(Cc3ccccn3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 2/20 0.54
RAB9A P51151 2/20 0.54
POLB P06746 3/20 0.49
GLA P06280 1/20 0.48
PARP1 P09874 2/20 0.47
PDE5A O76074 1/20 0.47
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
F7 P08709 1/20 0.47
TNKS O95271 1/20 0.47
RECQL P46063 1/20 0.46
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL405814 0.87 KDM4E (0.62) MAPTKMT2AKDM4ESMN1; SMN2RAB9A
SCHEMBL403762 0.81 ALDH1A1 (0.55) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL400571 0.80 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL17888982 0.80 MAPT (0.49) MAPTKMT2AKDM4ESMN1; SMN2RAB9A
SCHEMBL2118620 0.79 KDM4E (0.72) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL10262840 0.79 KDM4E (0.62) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL31483754 0.79 KDM4E (0.72) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL20665788 0.79 RAB9A (0.60) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL405224 0.79 F2 (0.54) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL400432 0.79 KDM4E (0.61) ALDH1A1MAPTHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050739-B1 QUINAZOLINE DERIVATIVE ASKA PHARM CO LTD (JP) 2016-07-06 EP disclosed
CN-101501007-B Quinazoline derivative ASKA PARMACEUTICAL CO LTD 2014-01-29 CN disclosed
US-8101624-B2 Quinazoline derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-24 US disclosed
US-20090318478-A1 QUINAZOLINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. 2009-12-24 US disclosed
WO-2009140105-A2 FORMULATIONS FOR CATHEPSIN K INHIBITORS MERCK & CO., INC. (US) 2009-11-19 WO disclosed
CN-101501007-A Quinazoline derivative ASKA PARMACEUTICAL CO LTD (JP) 2009-08-05 CN disclosed
EP-2050739-A1 QUINAZOLINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-04-22 EP 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-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A ALDH1A1 235/4885MAPT 4404/4885HSD17B10 989/4885

“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.