SCHEMBL404019

SCHEMBL404019

Cc1ccc(C)c(Cc2nc3cc(C(=O)O)ccc3c(=O)[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
RECQL P46063 1/20 0.61
PDE5A O76074 1/20 0.60
POLB P06746 2/20 0.53
GAA P10253 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 1/20 0.42
PARP4 Q9UKK3 2/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL405002 0.89 PDE5A (0.61) KDM4ERECQLPDE5APOLBKMT2A
SCHEMBL404893 0.87 PDE5A (0.64) KDM4ERECQLPDE5APOLBGAA
SCHEMBL400804 0.86 PDE5A (0.68) KDM4ERECQLPDE5APOLBGAA
SCHEMBL404142 0.84 PDE5A (0.69) KDM4ERECQLPDE5APOLBGAA
SCHEMBL405691 0.83 PDE5A (0.68) KDM4ERECQLPDE5APOLBKMT2A
SCHEMBL406348 0.83 PDE5A (0.65) KDM4ERECQLPDE5APOLBGAA
SCHEMBL402247 0.83 PDE5A (0.78) KDM4ERECQLPDE5APOLBKMT2A
SCHEMBL404979 0.81 PDE5A (0.69) KDM4ERECQLPDE5APOLBKMT2A
SCHEMBL405142 0.81 PDE5A (0.65) KDM4ERECQLPDE5APOLBKMT2A
SCHEMBL400090 0.81 PDE5A (0.78) KDM4ERECQLPDE5APOLBGAA

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
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
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.