SCHEMBL797240

SCHEMBL797240

N#Cc1c[nH]c2cc[c]cc12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.58
IMPDH1 P20839 1/20 0.58
DYRK1A Q13627 3/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
HASPIN Q8TF76 1/20 0.41
LRRK2 Q5S007 1/20 0.40
SLC6A4 P31645 8/20 0.37
SLC6A2 P23975 4/20 0.35
SLC6A3 Q01959 3/20 0.35
PFKFB2 O60825 1/20 0.34
PFKFB1 P16118 1/20 0.34
PFKFB3 Q16875 1/20 0.34
XDH P47989 1/20 0.34
CYP2D6 P10635 1/20 0.33
DPYD Q12882 1/20 0.33

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
SCHEMBL2307532 0.85 IMPDH2 (0.58) IMPDH2IMPDH1DYRK1ACCNT1CDK9
SCHEMBL29820843 0.74 IMPDH2 (1.00) IMPDH2IMPDH1DYRK1ALRRK2
SCHEMBL186741 0.74 IMPDH2 (1.00) IMPDH2IMPDH1DYRK1ALRRK2
SCHEMBL15515402 0.73 CSNK2A1 (0.55) IMPDH2IMPDH1SLC6A4CYP2D6
Hydrochloric Acid SCHEMBL7697252 0.72 IMPDH2 (0.96) IMPDH2IMPDH1DYRK1ACCNT1CDK9
SCHEMBL4461828 0.72 GPR84 (0.32) IMPDH2IMPDH1
SCHEMBL928747 0.72 ATM (0.52) IMPDH2IMPDH1
SCHEMBL4459584 0.72 MPO (0.33) IMPDH2IMPDH1SLC6A4
Hydrochloric Acid SCHEMBL7431978 0.72 IMPDH2 (0.96) IMPDH2IMPDH1DYRK1ACCNT1CDK9
SCHEMBL28328494 0.72 IMPDH2 (0.96) IMPDH2IMPDH1DYRK1ACCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116910-A1 Heterocycles as WIP1 Inhibitors PMV PHARMACEUTICALS, INC. 2024-04-11 US claimed
US-20240116910-A1 Heterocycles as WIP1 Inhibitors PMV PHARMACEUTICALS, INC. 2024-04-11 US disclosed
EP-2616071-A2 FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-24 EP disclosed
US-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2013-07-04 US disclosed
WO-2012037299-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
EP-2351737-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
US-7803830-B2 3-amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-28 US disclosed
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2009-04-16 US disclosed
US-7446118-B2 3-amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2008-11-04 US disclosed
EP-1960355-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP disclosed
WO-2007062996-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 US disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
US-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists MERCK PATENT GMBH (DE) 2003-07-10 US disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
EP-1246803-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT 2A? RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2002-10-09 EP disclosed
WO-2001051469-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT2A RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2001-07-19 WO 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-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof IDO1, RB1, AHR IMPDH2 720/4885IMPDH1 369/4885DYRK1A 357/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR IMPDH2 720/4885IMPDH1 369/4885DYRK1A 357/4885
US-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 IMPDH2 3953/4885IMPDH1 3533/4885DYRK1A 102/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 IMPDH2 4047/4885IMPDH1 3659/4885DYRK1A 34/4885
US-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists HTR2A, HTR1A, HTR5A IMPDH2 1851/4885IMPDH1 1981/4885DYRK1A 2906/4885
US-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 IMPDH2 771/4885IMPDH1 620/4885DYRK1A 2997/4885
US-20240116910-A1 Heterocycles as WIP1 Inhibitors WAPL, WHR1, G3BP1 IMPDH2 1957/4885IMPDH1 1456/4885DYRK1A 1334/4885

“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.