SCHEMBL4384530

SCHEMBL4384530

O=C(NC1CCNCC1)c1n[nH]c2ccccc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.82
RAB9A P51151 2/20 0.82
SMYD3 Q9H7B4 1/20 0.70
USP30 Q70CQ3 1/20 0.62
DYRK1A Q13627 3/20 0.61
WNT1 P04628 2/20 0.61
CHRNA7 P36544 5/20 0.60
HTR3A P46098 2/20 0.60
YTHDC1 Q96MU7 1/20 0.58
CCNA2 P20248 1/20 0.56
CDK2 P24941 1/20 0.56
FLT3 P36888 1/20 0.56
CCNA1 P78396 1/20 0.56
HTR4 Q13639 1/20 0.55
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
IDO1 P14902 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL26400414 0.89 NPC1 (0.97) NPC1RAB9ASMYD3USP30DYRK1A
SCHEMBL30068489 0.88 NPC1 (0.80) NPC1RAB9ASMYD3USP30DYRK1A
SCHEMBL7378117 0.88 NPC1 (0.71) NPC1RAB9ASMYD3USP30DYRK1A
SCHEMBL21489892 0.86 NPC1 (0.78) NPC1RAB9ASMYD3USP30DYRK1A
SCHEMBL19710468 0.86 NPC1 (0.78) NPC1RAB9ASMYD3USP30DYRK1A
SCHEMBL8057262 0.86 NPC1 (0.65) NPC1RAB9ASMYD3USP30DYRK1A
SCHEMBL29732688 0.84 NPC1 (0.74) NPC1RAB9ASMYD3USP30DYRK1A
SCHEMBL6950689 0.84 NPC1 (0.74) NPC1RAB9ASMYD3USP30DYRK1A
SCHEMBL2087351 0.83 NPC1 (0.72) NPC1RAB9ASMYD3USP30DYRK1A
SCHEMBL23575893 0.82 SMYD3 (1.00) NPC1RAB9ASMYD3USP30DYRK1A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors ASTEX TECHNOLOGY, INC. (GB) 2006-06-22 US claimed
EP-1910340-B1 INDAZOLECARBOXAMIDE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS PFIZER (US) 2009-11-18 EP disclosed
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors ASTEX TECHNOLOGY, INC. (GB) 2006-06-22 US disclosed
EP-1534685-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS Astex Technology Limited (GB) 2005-06-01 EP disclosed
WO-2005014554-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS MAPKAP KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-02-17 WO disclosed
WO-2004014864-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-02-19 WO disclosed
EP-0829474-B1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN SEIFUN GROUP INC (JP) 2003-04-09 EP disclosed
US-6096746-A Indazole compound containing a monocyclic amine structure NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-08-01 US disclosed
US-5945434-A TREATMENT OF GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1999-08-31 US disclosed
EP-0829474-A1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-03-18 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 (1 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-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors CCNC, CDK1, CDK7 NPC1 4580/4885RAB9A 3100/4885SMYD3 2131/4885

“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.