SCHEMBL400432

SCHEMBL400432

COC(=O)c1ccc2c(=O)[nH]c(Cc3cccs3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 2/20 0.59
HTT P42858 2/20 0.59
RAB9A P51151 1/20 0.59
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 1/20 0.49
TSHR P16473 2/20 0.49
PDE5A O76074 1/20 0.47
DNMT1 P26358 1/20 0.47
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PARP1 P09874 1/20 0.45
LMNA P02545 1/20 0.44
TNKS O95271 1/20 0.44

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
SCHEMBL406004 0.87 KDM4E (0.70) KDM4ESMN1; SMN2ALDH1A1HTTRAB9A
SCHEMBL17888981 0.80 KDM4E (0.65) KDM4ESMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL10262840 0.79 KDM4E (0.62) KDM4ESMN1; SMN2ALDH1A1HTTRAB9A
SCHEMBL31483754 0.79 KDM4E (0.72) KDM4ESMN1; SMN2ALDH1A1HTTRAB9A
SCHEMBL2118620 0.79 KDM4E (0.72) KDM4ESMN1; SMN2ALDH1A1HTTRAB9A
SCHEMBL403749 0.79 KDM4E (0.67) KDM4ESMN1; SMN2HTTMAPTKMT2A
SCHEMBL404141 0.79 ALDH1A1 (0.55) KDM4ESMN1; SMN2ALDH1A1HTTRAB9A
SCHEMBL403762 0.79 ALDH1A1 (0.55) KDM4ESMN1; SMN2ALDH1A1HTTRAB9A
SCHEMBL37938 0.78 PDE5A (0.77) KDM4ESMN1; SMN2ALDH1A1HTTRAB9A
SCHEMBL400571 0.78 ALDH1A1 (0.56) KDM4ESMN1; SMN2ALDH1A1HTTRAB9A

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 6 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
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 KDM4E 2869/4885SMN1; SMN2 3905/4885ALDH1A1 235/4885

“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.