SCHEMBL401559

SCHEMBL401559

O=C(O)c1ccc2c(=O)[nH]c(CCc3ccccn3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
RECQL P46063 1/20 0.61
POLB P06746 2/20 0.56
GLA P06280 1/20 0.56
MAPT P10636 1/20 0.56
PDE5A O76074 1/20 0.54
PARP1 P09874 5/20 0.49
PARP2 Q9UGN5 1/20 0.49
CSNK2A1 P68400 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE10A Q9Y233 5/20 0.47
PARP3 Q9Y6F1 1/20 0.46
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 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
SCHEMBL403265 0.93 KDM4E (0.59) KDM4ERECQLPOLBGLAMAPT
SCHEMBL405814 0.90 KDM4E (0.62) KDM4ERECQLPOLBGLAMAPT
SCHEMBL439184 0.84 KDM4E (0.68) KDM4ERECQLPOLBMAPTPDE5A
SCHEMBL405224 0.81 F2 (0.54) KDM4ERECQLPOLBGLAMAPT
SCHEMBL404924 0.80 KDM4E (0.65) KDM4ERECQLPOLBPDE5APARP1
SCHEMBL27771771 0.80 KDM4E (0.61) KDM4ERECQLPOLBMAPTPDE5A
SCHEMBL405613 0.79 KDM4E (0.60) KDM4ERECQLPOLBPDE5APARP1
SCHEMBL400090 0.78 PDE5A (0.78) KDM4ERECQLPOLBMAPTPDE5A
SCHEMBL399980 0.77 KDM4E (0.61) KDM4ERECQLPOLBMAPTPDE5A
SCHEMBL405904 0.77 KDM4E (0.58) KDM4ERECQLPOLBMAPTPDE5A

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 8 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-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 878/4885POLB 555/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A KDM4E 2869/4885RECQL 100/4885POLB 1464/4885

“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.