SCHEMBL405904

SCHEMBL405904

COc1ccccc1CCc1nc2cc(C(=O)O)ccc2c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
RECQL P46063 1/20 0.58
PDE5A O76074 1/20 0.52
MAPK1 P28482 3/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 1/20 0.51
TNKS O95271 4/20 0.50
PARP2 Q9UGN5 2/20 0.50
TNKS2 Q9H2K2 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 7/20 0.48
TDP1 Q9NUW8 3/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
USP2 O75604 1/20 0.47
PARP1 P09874 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL405256 0.94 KDM4E (0.56) KDM4ERECQLPDE5AMAPK1ALOX15
SCHEMBL405782 0.90 POLB (0.59) KDM4ERECQLPDE5AMAPK1ALOX15
SCHEMBL28206023 0.85 PDE10A (0.60) KDM4EMAPK1ALOX15HSD17B10TNKS
SCHEMBL404827 0.83 PDE5A (0.58) KDM4ERECQLPDE5AMAPK1ALOX15
SCHEMBL405463 0.83 KDM4E (0.58) KDM4ERECQLPDE5AMAPK1ALOX15
SCHEMBL400774 0.83 PDE5A (0.62) KDM4ERECQLPDE5AMAPK1ALOX15
SCHEMBL398946 0.83 POLB (0.52) KDM4ERECQLPDE5AMAPK1ALOX15
SCHEMBL439184 0.82 KDM4E (0.68) KDM4ERECQLPDE5APARP2POLB
SCHEMBL403762 0.81 ALDH1A1 (0.55) KDM4ERECQLPDE5AMAPK1ALOX15
SCHEMBL403263 0.80 POLB (0.57) KDM4ERECQLPDE5AMAPK1ALOX15

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
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
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.