SCHEMBL403999

SCHEMBL403999

COc1ccc(Cc2nc3cc(C(=O)O)ccc3c(=O)[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.63
KDM4E B2RXH2 3/20 0.61
RECQL P46063 1/20 0.61
PTPN5 P54829 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
USP2 O75604 1/20 0.50
BRD4 O60885 1/20 0.49
KMT2A Q03164 3/20 0.49
ADORA3 P0DMS8 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 3/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46

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
SCHEMBL400992 0.89 PDE5A (0.61) PDE5AKDM4ERECQLPTPN5SMN1; SMN2
SCHEMBL400804 0.88 PDE5A (0.68) PDE5AKDM4ERECQLSMN1; SMN2KMT2A
SCHEMBL401645 0.88 PDE5A (0.72) PDE5AKDM4ERECQLUSP2KMT2A
SCHEMBL403796 0.87 PDE5A (0.64) PDE5AKDM4ERECQLSMN1; SMN2USP2
SCHEMBL401317 0.86 PDE5A (0.62) PDE5AKDM4ERECQLSMN1; SMN2USP2
SCHEMBL400090 0.86 PDE5A (0.78) PDE5AKDM4ERECQLSMN1; SMN2KMT2A
SCHEMBL404136 0.85 PDE5A (0.77) PDE5AKDM4ERECQLSMN1; SMN2KMT2A
SCHEMBL401995 0.85 PDE5A (0.67) PDE5AKDM4ERECQLSMN1; SMN2KMT2A
SCHEMBL403830 0.85 PDE5A (0.67) PDE5AKDM4ERECQLSMN1; SMN2KMT2A
Anisole SCHEMBL27750887 0.84 KDM4E (0.61) PDE5AKDM4ERECQLSMN1; SMN2USP2

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 9 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-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 14/4885KDM4E 4291/4885RECQL 878/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A PDE5A 3/4885KDM4E 2869/4885RECQL 100/4885

“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.