SCHEMBL403861

SCHEMBL403861

COc1ccc(Cc2nc3c(C(=O)O)cccc3c(=O)[nH]2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.51
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
PDE2A O00408 7/20 0.45
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 1/20 0.45

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
SCHEMBL403970 0.86 KDM4C (0.49) APEX1PARP1PARP2
SCHEMBL405407 0.83 POLB (0.57) RNASEH1POLBAPEX1ALDH1A1HPGD
SCHEMBL403274 0.83 ALOX15 (0.50) POLBALDH1A1MAPK1CYP2C9KDM4E
SCHEMBL405606 0.81 KMT2A (0.61) RNASEH1POLBPARP1PARP2
SCHEMBL404377 0.81 RNASEH1 (0.60) RNASEH1POLBAPEX1KDM4EPARP1
SCHEMBL401142 0.80 PDE5A (0.64) RNASEH1POLBPARP1PARP2
SCHEMBL403588 0.78 PDE5A (0.53) RNASEH1POLBALDH1A1HPGDTP53
SCHEMBL403796 0.77 PDE5A (0.64) RNASEH1POLBALDH1A1HPGDTP53
SCHEMBL403048 0.76 ALDH1A1 (0.48) RNASEH1POLBALDH1A1KDM4EPARP1
SCHEMBL16868190 0.74 PDE2A (0.59) RNASEH1POLBALDH1A1HPGDKDM4E

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 RNASEH1 974/4885POLB 555/4885APEX1 2334/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A RNASEH1 254/4885POLB 1464/4885APEX1 1082/4885

“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.