SCHEMBL401142

SCHEMBL401142

O=C(O)c1cccc2c(=O)[nH]c(Cc3cccc(Cl)c3)nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.64
POLB P06746 1/20 0.54
PDE9A O76083 1/20 0.53
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53
PDE1C Q14123 1/20 0.53
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.46
MAOB P27338 1/20 0.46
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
BRS3 P32247 1/20 0.45
HCAR2 Q8TDS4 2/20 0.44
CD38 P28907 1/20 0.44
RNASEH1 O60930 2/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44

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
SCHEMBL405606 0.88 KMT2A (0.61) PDE5APOLBKMT2APARP1PARP2
SCHEMBL404377 0.87 RNASEH1 (0.60) PDE5APOLBKMT2APARP1PARP2
SCHEMBL403970 0.83 KDM4C (0.49) PDE5APARP1PARP2BRS3HCAR2
SCHEMBL403048 0.81 ALDH1A1 (0.48) PDE5APOLBKMT2APARP1PARP2
SCHEMBL405065 0.81 PDE5A (0.64) PDE5APOLBPDE9APDE1APDE1B
SCHEMBL403861 0.80 RNASEH1 (0.51) POLBPARP1PARP2RNASEH1
SCHEMBL401291 0.79 PDE5A (0.85) PDE5APOLBPDE9APDE1APDE1B
SCHEMBL38105 0.78 PDE5A (1.00) PDE5APOLBPDE9APDE1APDE1B
SCHEMBL3492301 0.77 PDE5A (1.00) PDE5APOLBPDE9APDE1APDE1B
SCHEMBL38205 0.76 PDE5A (0.64) PDE5APDE9APDE1APDE1BPDE1C

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 14/4885POLB 555/4885PDE9A 6/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A PDE5A 3/4885POLB 1464/4885PDE9A 1/4885

“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.