SCHEMBL400571

SCHEMBL400571

COC(=O)c1ccc2c(=O)[nH]c(Cc3cccnc3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
PDE5A O76074 1/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CSNK2A1 P68400 2/20 0.50
PARP1 P09874 2/20 0.50
POLB P06746 1/20 0.49
RNASEH1 O60930 1/20 0.46
EGFR P00533 1/20 0.46
RECQL P46063 1/20 0.46
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
TNKS O95271 1/20 0.43

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
SCHEMBL406541 0.87 PDE5A (0.69) ALDH1A1KDM4EPDE5AKMT2ACSNK2A1
SCHEMBL399659 0.83 PDE5A (0.59) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL37938 0.83 PDE5A (0.77) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL404601 0.80 KDM4E (0.56) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL402452 0.80 PDE5A (0.57) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL17888979 0.80 ALDH1A1 (0.50) ALDH1A1KDM4ERAB9APDE5AKMT2A
SCHEMBL404141 0.80 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL405915 0.79 PDE5A (0.58) ALDH1A1KDM4EPDE5AKMT2ACSNK2A1
SCHEMBL2118620 0.79 KDM4E (0.72) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL31483754 0.79 KDM4E (0.72) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A

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-2050739-B1 QUINAZOLINE DERIVATIVE ASKA PHARM CO LTD (JP) 2016-07-06 EP 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 ALDH1A1 235/4885KDM4E 2869/4885SMN1; SMN2 3905/4885

“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.