SCHEMBL3314980

SCHEMBL3314980

CCc1cccn2ccnc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.41
HTR2A P28223 3/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.37
SSTR4 P31391 1/20 0.36
HTR2C P28335 1/20 0.35
KCNH2 Q12809 1/20 0.35
HCRTR2 O43614 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
HTR1A P08908 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL15869718 0.85 HCRTR2 (0.41) NUDT1HTR2AHTR2CKCNH2HCRTR2
SCHEMBL9934928 0.85 NUDT1 (0.41) NUDT1HTR2ASSTR4HTR2CKCNH2
SCHEMBL20348407 0.85 ALDH1A1 (0.38) NUDT1KDM4EALDH1A1PDE1APDE1B
SCHEMBL9111359 0.82 NUDT1 (0.42) NUDT1HTR2ASSTR4HTR2CKCNH2
SCHEMBL7370161 0.81 LIPG (0.40) NUDT1HTR2AKCNH2L3MBTL1
SCHEMBL325060 0.81 NUDT1 (0.41) NUDT1HTR2ASSTR4HTR2CKCNH2
SCHEMBL2315461 0.81 NUDT1 (0.41) NUDT1HTR2AKDM4ESSTR4HTR2C
SCHEMBL325061 0.81 NUDT1 (0.45) NUDT1HTR2AHTR2CKCNH2
SCHEMBL5308911 0.81 NUDT1 (0.41) NUDT1HTR2ASSTR4HTR2CKCNH2
SCHEMBL3113424 0.81 NUDT1 (0.41) NUDT1HTR2ASSTR4HTR2CKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023196601-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 WO disclosed
US-10738030-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-08-11 US disclosed
US-20190055220-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2019-02-21 US disclosed
US-8217177-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-07-10 US disclosed
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-06-14 US disclosed
US-8198448-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-06-12 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-05-03 US disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 US disclosed
US-20090124609-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US 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-20090318436-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET NUDT1 199/4885HTR2A 3763/4885KDM4E 4500/4885
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 NUDT1 1365/4885HTR2A 956/4885KDM4E 3841/4885
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET NUDT1 199/4885HTR2A 3763/4885KDM4E 4500/4885
US-10738030-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SCNN1G NUDT1 3075/4885HTR2A 3833/4885KDM4E 3705/4885
US-20190055220-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SCNN1G NUDT1 3075/4885HTR2A 3833/4885KDM4E 3705/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS NUDT1 44/4885HTR2A 1804/4885KDM4E 2169/4885
US-20090124609-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET NUDT1 199/4885HTR2A 3763/4885KDM4E 4500/4885
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET NUDT1 199/4885HTR2A 3763/4885KDM4E 4500/4885

“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.