SCHEMBL399980

SCHEMBL399980

O=C(O)c1ccc2c(=O)[nH]c(CCc3cccs3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
RECQL P46063 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.55
PDE5A O76074 1/20 0.54
PARP1 P09874 3/20 0.52
WNT3A P56704 1/20 0.52
TNKS2 Q9H2K2 1/20 0.52
POLB P06746 3/20 0.50
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.49
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PDE10A Q9Y233 1/20 0.44
RAB9A P51151 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
SCHEMBL401612 0.93 KDM4E (0.59) KDM4ERECQLSMN1; SMN2PDE5APARP1
SCHEMBL406004 0.90 KDM4E (0.70) KDM4ERECQLSMN1; SMN2PDE5APARP1
SCHEMBL439184 0.82 KDM4E (0.68) KDM4ERECQLSMN1; SMN2PDE5APARP1
SCHEMBL403749 0.81 KDM4E (0.67) KDM4ERECQLSMN1; SMN2PDE5APARP1
SCHEMBL404924 0.78 KDM4E (0.65) KDM4ERECQLSMN1; SMN2PDE5APARP1
SCHEMBL401559 0.77 KDM4E (0.61) KDM4ERECQLSMN1; SMN2PDE5APARP1
SCHEMBL400432 0.77 KDM4E (0.61) KDM4ERECQLSMN1; SMN2PDE5APARP1
SCHEMBL405613 0.76 KDM4E (0.60) KDM4ERECQLPDE5APARP1POLB
SCHEMBL400846 0.76 PDE5A (0.82) KDM4ERECQLPDE5APARP1POLB
SCHEMBL400090 0.76 PDE5A (0.78) KDM4ERECQLSMN1; SMN2PDE5APARP1

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 878/4885SMN1; SMN2 3450/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A KDM4E 2869/4885RECQL 100/4885SMN1; 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.