SCHEMBL4486941

SCHEMBL4486941

c1c[nH]c2nc3c(nc2c1)nc1ccccc13

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.55
MAPK8 P45983 2/20 0.55
MAPK9 P45984 2/20 0.55
DYRK1A Q13627 1/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL4497899 0.95 MAPK10 (0.54) MAPK10MAPK8MAPK9DYRK1ACYP3A4
SCHEMBL4512339 0.78 KDM4E (0.42) MAPK10MAPK8MAPK9CYP3A4ALDH1A1
SCHEMBL4494584 0.76 MAPK8 (0.46) MAPK10MAPK8MAPK9DYRK1ACYP3A4
SCHEMBL4505407 0.73 KDM4E (0.41) MAPK10MAPK8MAPK9CYP3A4ALDH1A1
SCHEMBL4498210 0.72 CYP3A4 (0.47) MAPK10MAPK8MAPK9DYRK1ACYP3A4
SCHEMBL4500096 0.68 CYP3A4 (0.69) DYRK1ACYP3A4ALDH1A1KDM4EGLA
SCHEMBL4488345 0.67 DYRK1A (0.51) MAPK10MAPK8MAPK9DYRK1ACYP3A4
SCHEMBL4559275 0.66 MAPT (0.52) MAPK10MAPK8MAPK9ALDH1A1KDM4E
SCHEMBL9169312 0.66 METAP1 (0.40) MAPK10CYP3A4ALDH1A1KDM4EGLA
SCHEMBL18818673 0.65 MAPK1 (0.48) MAPK10MAPK8MAPK9DYRK1AMAPK1

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 27 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-20040053826-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 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
US-5620973-A CHOLINESTERASE INHIBITOR; ALZHEIMER*S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-15 US 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 (8 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 MAPK10 2660/4885MAPK8 3428/4885MAPK9 3874/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A MAPK10 3185/4885MAPK8 2842/4885MAPK9 2791/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE MAPK10 2453/4885MAPK8 2662/4885MAPK9 2418/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR MAPK10 1031/4885MAPK8 1891/4885MAPK9 1989/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A MAPK10 3124/4885MAPK8 2600/4885MAPK9 2790/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MAPK10 3898/4885MAPK8 3708/4885MAPK9 3861/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR MAPK10 1031/4885MAPK8 1891/4885MAPK9 1989/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA MAPK10 1052/4885MAPK8 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.