SCHEMBL405885

SCHEMBL405885

O=C(O)c1cccc2c(=O)[nH]c(Cc3ccccn3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
POLB P06746 2/20 0.47
GLA P06280 1/20 0.47
PDE9A O76083 1/20 0.44
PARP1 P09874 5/20 0.44
KDM4E B2RXH2 3/20 0.44
PARP2 Q9UGN5 3/20 0.44
PARP14 Q460N5 2/20 0.43
TSHR P16473 1/20 0.42
PARP11 Q9NR21 1/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PNP P00491 1/20 0.39

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 0.84 KMT2A (0.61) MAPTPOLBPARP1PARP2KMT2A
SCHEMBL401595 0.81 MAPT (0.47) MAPTPOLBGLAPDE9APARP1
SCHEMBL403048 0.78 ALDH1A1 (0.48) MAPTPOLBPARP1KDM4EPARP2
SCHEMBL402347 0.76 KDM4E (0.64) MAPTPOLBPARP1KDM4EPARP2
SCHEMBL405224 0.76 F2 (0.54) MAPTPOLBGLAPDE9APARP1
SCHEMBL403274 0.76 ALOX15 (0.50) MAPTPOLBPARP1KDM4EPARP2
SCHEMBL401142 0.75 PDE5A (0.64) MAPTPOLBPDE9APARP1PARP2
SCHEMBL405814 0.75 KDM4E (0.62) MAPTPOLBGLAPDE9APARP1
SCHEMBL404377 0.74 RNASEH1 (0.60) MAPTPOLBPARP1KDM4EPARP2
SCHEMBL403970 0.73 KDM4C (0.49) PARP1PARP2RAB9AHCAR2

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 MAPT 1324/4885POLB 555/4885GLA 34/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A MAPT 4404/4885POLB 1464/4885GLA 1379/4885

“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.