SCHEMBL401291

SCHEMBL401291

O=C(O)c1ccc2nc(Cc3cccc(Cl)c3)[nH]c(=O)c2c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.85
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 1/20 0.55
TUBB8 Q3ZCM7 1/20 0.55
TUBA3E Q6PEY2 1/20 0.55
TUBA1A Q71U36 1/20 0.55
TUBA1C Q9BQE3 1/20 0.55
TUBB6 Q9BUF5 1/20 0.55
TUBB2B Q9BVA1 1/20 0.55
TUBB1 Q9H4B7 1/20 0.55
POLB P06746 1/20 0.54
KDM4E B2RXH2 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 2/20 0.50

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
SCHEMBL38105 0.92 PDE5A (1.00) PDE5ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL405533 0.88 PDE5A (0.65) PDE5ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL403310 0.85 PDE5A (0.62) PDE5ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL941179 0.83 PDE5A (0.64) PDE5ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL402059 0.83 PDE5A (0.61) PDE5AKDM4ERECQLKMT2AKDM4C
SCHEMBL400846 0.82 PDE5A (0.82) PDE5ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL405915 0.81 PDE5A (0.58) PDE5ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL405547 0.81 PDE5A (0.81) PDE5ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL403178 0.80 PDE5A (0.78) PDE5ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL37938 0.79 PDE5A (0.77) PDE5APOLBKDM4ERECQLKMT2A

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 PDE5A 14/4885TUBB4A 304/4885TUBB 157/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A PDE5A 3/4885TUBB4A 1353/4885TUBB 1222/4885

“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.