SCHEMBL405817

SCHEMBL405817

COc1ccc(Cc2nc3cc(C(=O)O)ccc3c(=O)[nH]2)s1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
RECQL P46063 1/20 0.58
PDE5A O76074 1/20 0.54
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
PARP14 Q460N5 1/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL403461 0.84 KDM4E (0.65) KDM4ERECQLPDE5APOLBSMN1; SMN2
SCHEMBL403999 0.79 PDE5A (0.63) KDM4ERECQLPDE5APOLBSMN1; SMN2
SCHEMBL400774 0.78 PDE5A (0.62) KDM4ERECQLPDE5APOLBSMN1; SMN2
SCHEMBL406004 0.78 KDM4E (0.70) KDM4ERECQLPDE5APOLBSMN1; SMN2
SCHEMBL405782 0.77 POLB (0.59) KDM4ERECQLPDE5APOLBSMN1; SMN2
SCHEMBL403796 0.77 PDE5A (0.64) KDM4ERECQLPDE5APOLBSMN1; SMN2
SCHEMBL404328 0.77 PDE5A (0.60) KDM4ERECQLPDE5APOLBSMN1; SMN2
SCHEMBL401317 0.77 PDE5A (0.62) KDM4ERECQLPDE5APOLBSMN1; SMN2
SCHEMBL401645 0.77 PDE5A (0.72) KDM4ERECQLPDE5APOLBALDH1A1
SCHEMBL400804 0.76 PDE5A (0.68) KDM4ERECQLPDE5APOLBSMN1; SMN2

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 9 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-20100113484-A1 TREATING AGENT OF UROPATHY ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-06 US disclosed
US-20090318478-A1 QUINAZOLINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. 2009-12-24 US disclosed
EP-2123301-A1 THERAPEUTIC AGENT FOR URINARY TRACT DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-11-25 EP disclosed
CN-101557826-A Therapeutic agent for urinary tract disease ASKA PHARM CO LTD (JP) 2009-10-14 CN 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 (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-20100113484-A1 TREATING AGENT OF UROPATHY BPHL, PDE12, UROD KDM4E 4291/4885RECQL 878/4885PDE5A 14/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A KDM4E 2869/4885RECQL 100/4885PDE5A 3/4885

“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.