SCHEMBL4498210

SCHEMBL4498210

c1c[nH]c2nc3nc4ccccc4c3cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
RAD52 P43351 1/20 0.39
SMARCA2 P51531 1/20 0.39
GAA P10253 3/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
DYRK1A Q13627 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
GLA P06280 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
AXL P30530 1/20 0.36
CDK8 P49336 1/20 0.36
GPR3 P46089 2/20 0.35

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
SCHEMBL4500096 0.79 CYP3A4 (0.69) CYP3A4RAD52SMARCA2KMT2AMAPT
SCHEMBL4494584 0.77 MAPK8 (0.46) CYP3A4MAPK8MAPK9MAPK10RAD52
SCHEMBL4497899 0.75 MAPK10 (0.54) CYP3A4MAPK8MAPK9MAPK10GAA
SCHEMBL4486941 0.72 MAPK10 (0.55) CYP3A4MAPK8MAPK9MAPK10GAA
SCHEMBL4496612 0.71 RAD52 (0.50) CYP3A4RAD52SMARCA2GAAKMT2A
SCHEMBL4502743 0.68 RAD52 (0.54) CYP3A4RAD52SMARCA2GAAKMT2A
SCHEMBL4778458 0.67 ALDH1A1 (0.56) RAD52SMARCA2GAAKMT2AMAPT
SCHEMBL4502534 0.64 MAPK10 (0.57) MAPK8MAPK9MAPK10RAD52SMARCA2
SCHEMBL4506468 0.64 ESR1 (0.68) RAD52SMARCA2GAAKMT2AMAPT
SCHEMBL6648490 0.62 DYRK1A (0.52) CYP3A4MAPK8MAPK9MAPK10RAD52

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 US disclosed
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
EP-1891954-A2 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2008-02-27 EP disclosed
US-20070232538-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2007-10-04 US disclosed
US-20070021391-A1 Preventive/remedy for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-25 US disclosed
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ISIHARA YUJI 2006-12-14 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20030207863-A1 Preventives and remedies for central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-06 US disclosed
EP-1331010-A1 PREVENTIVES AND REMEDIES FOR CENTRAL NERVOUS SYSTEM DISEASES Takeda Chemical Industries, Ltd. (JP) 2003-07-30 EP disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 EP disclosed
US-6534496-B1 Prophylactic and/or therapeutic drug for obesity and obesity associated diseasestor diabetes with a reduced risk for central side effects and high universality in usage. Another object of the a lipolytic agent, or a prophylactic and/or TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2003-03-18 US disclosed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP disclosed
EP-0975624-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS Takeda Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
WO-1998046590-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-22 WO disclosed
EP-0655451-A1 Tetracyclic condensed heterocyclic compounds for the treatment of senile dementia TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-31 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 (7 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-20070021391-A1 Preventive/remedy for urinary disturbance ACHE, BCHE, CHAT CYP3A4 1042/4885MAPK8 3428/4885MAPK9 3874/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A CYP3A4 529/4885MAPK8 2842/4885MAPK9 2791/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE CYP3A4 555/4885MAPK8 2662/4885MAPK9 2418/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR CYP3A4 4836/4885MAPK8 1891/4885MAPK9 1989/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A CYP3A4 565/4885MAPK8 2600/4885MAPK9 2790/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE CYP3A4 1676/4885MAPK8 3708/4885MAPK9 3861/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA CYP3A4 4622/4885MAPK8 1998/4885MAPK9 2673/4885

“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.