SCHEMBL4500096

SCHEMBL4500096

c1c[nH]c2cc3c(nc2c1)nc1ccccc13

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.69
DYRK1A Q13627 1/20 0.46
RAD52 P43351 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
NPC1 O15118 1/20 0.37
GBA1 P04062 1/20 0.37
TOP2A P11388 1/20 0.37
GPR3 P46089 2/20 0.37
CCND3 P30281 1/20 0.36
CDK6 Q00534 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
SCHEMBL4498210 0.79 CYP3A4 (0.47) CYP3A4DYRK1ARAD52SMARCA2SMN1; SMN2
SCHEMBL4502743 0.77 RAD52 (0.54) CYP3A4DYRK1ARAD52SMARCA2SMN1; SMN2
SCHEMBL4488345 0.77 DYRK1A (0.51) CYP3A4DYRK1ARAD52SMARCA2SMN1; SMN2
SCHEMBL4507544 0.75 RAD52 (0.48) CYP3A4DYRK1ARAD52SMARCA2SMN1; SMN2
SCHEMBL4496612 0.74 RAD52 (0.50) CYP3A4DYRK1ARAD52SMARCA2SMN1; SMN2
SCHEMBL6648490 0.71 DYRK1A (0.52) CYP3A4DYRK1ARAD52SMARCA2SMN1; SMN2
SCHEMBL7055250 0.71 RAD52 (0.48) CYP3A4DYRK1ARAD52SMARCA2SMN1; SMN2
SCHEMBL4486941 0.68 MAPK10 (0.55) CYP3A4DYRK1ASMN1; SMN2LMNAALDH1A1
SCHEMBL8058607 0.68 DYRK1A (0.49) CYP3A4DYRK1ARAD52SMARCA2SMN1; SMN2
SCHEMBL4497899 0.67 MAPK10 (0.54) CYP3A4DYRK1ASMN1; SMN2ALDH1A1CYP1A2

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-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
CN-1768745-A Medicine for improving excretion capacity of bladder TAKEDA PHARMACEUTICAL (JP) 2006-05-10 CN disclosed
CN-1163224-C Medicine for improving excretion capacity of bladder ����ҩƷ��ҵ��ʽ���� 2004-08-25 CN disclosed
US-20040116457-A1 Agents for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 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
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
CN-1328451-A Medicine for improving excretion capacity of bladder TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-26 CN 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 (6 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 1042/4885DYRK1A 3998/4885RAD52 3088/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A CYP3A4 529/4885DYRK1A 3420/4885RAD52 4491/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE CYP3A4 555/4885DYRK1A 4269/4885RAD52 4647/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A CYP3A4 565/4885DYRK1A 3570/4885RAD52 4537/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE CYP3A4 1676/4885DYRK1A 2901/4885RAD52 1582/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA CYP3A4 4622/4885DYRK1A 2393/4885RAD52 2229/4885

“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.