SCHEMBL404491

SCHEMBL404491

O=C(O)c1ccc2c(=O)[nH]c(Cc3ccc(Cl)cc3F)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.67
POLB P06746 2/20 0.65
KDM4E B2RXH2 4/20 0.62
RECQL P46063 1/20 0.62
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 2/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CSNK2A1 P68400 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL400692 0.92 PDE5A (0.68) PDE5APOLBKDM4ERECQLLMNA
SCHEMBL405888 0.89 KDM4E (0.61) PDE5APOLBKDM4ERECQLLMNA
SCHEMBL402807 0.87 PDE5A (0.69) PDE5APOLBKDM4ERECQLLMNA
SCHEMBL400381 0.87 KDM4E (0.61) PDE5APOLBKDM4ERECQLLMNA
SCHEMBL401473 0.86 KDM4E (0.64) PDE5APOLBKDM4ERECQLLMNA
SCHEMBL403044 0.85 KDM4E (0.62) PDE5APOLBKDM4ERECQLLMNA
SCHEMBL404795 0.85 KDM4E (0.62) PDE5APOLBKDM4ERECQLLMNA
SCHEMBL404586 0.84 KDM4E (0.61) PDE5APOLBKDM4ERECQLLMNA
SCHEMBL402253 0.84 KDM4E (0.56) PDE5APOLBKDM4ERECQLLMNA
SCHEMBL404136 0.83 PDE5A (0.77) PDE5APOLBKDM4ERECQLLMNA

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
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-101557826-A Therapeutic agent for urinary tract disease ASKA PHARM CO LTD (JP) 2009-10-14 CN 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 PDE5A 14/4885POLB 555/4885KDM4E 4291/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A PDE5A 3/4885POLB 1464/4885KDM4E 2869/4885

“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.