SCHEMBL5670452

SCHEMBL5670452

NC(=O)c1ccc(Nc2cc(Cl)ncn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
ABL1 P00519 4/20 0.53
BCR P11274 4/20 0.53
ROCK1 Q13464 1/20 0.51
EGFR P00533 3/20 0.51
ERBB3 P21860 3/20 0.51
MKNK1 Q9BUB5 2/20 0.47
JAK3 P52333 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
KMO O15229 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
PRMT1 Q99873 1/20 0.44
GAK O14976 1/20 0.44
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL4872523 0.86 NPC1 (0.57) NPC1EGFRERBB3MKNK1KMO
SCHEMBL5244511 0.85 NPC1 (0.56) NPC1EGFRERBB3MKNK1KMO
Hydrochloric Acid SCHEMBL4869163 0.85 NPC1 (0.56) NPC1ABL1BCREGFRERBB3
SCHEMBL4874060 0.82 NPC1 (0.57) NPC1ROCK1EGFRERBB3MKNK1
SCHEMBL4101878 0.81 EGFR (0.57) NPC1EGFRERBB3MAPTMAPK1
SCHEMBL1243788 0.80 NPC1 (0.57) NPC1EGFRERBB3MKNK1KMO
SCHEMBL4663995 0.79 NPC1 (0.64) NPC1EGFRERBB3MKNK1KMO
SCHEMBL5674223 0.79 NPC1 (0.64) NPC1EGFRERBB3MKNK1KMO
SCHEMBL4108187 0.79 ABL1 (0.54) ABL1BCREGFRERBB3JAK3
SCHEMBL2283204 0.79 NPC1 (0.68) NPC1EGFRERBB3MKNK1MAPT

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
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 US disclosed
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 US disclosed
WO-2016087665-A2 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-06-09 WO disclosed
EP-1678147-B1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES LEAD DISCOVERY CENTER GMBH (DE) 2012-08-08 EP disclosed
US-8084457-B2 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases LEAD DISCOVERY CENTER GMBH (DE) 2011-12-27 US disclosed
US-20070191344-A1 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-08-16 US disclosed
EP-1678147-A1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES GPC Biotech AG (DE) 2006-07-12 EP disclosed
WO-2005026129-A1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES GPC BIOTECH AG (DE) 2005-03-24 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 (3 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-20070191344-A1 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases DAPK1, DUSP4, MARK4 NPC1 3892/4885ABL1 861/4885BCR 3469/4885
US-10414768-B2 Compounds for treating cystic fibrosis CFTR, ABCB11, SLC26A4 NPC1 83/4885ABL1 3848/4885BCR 4513/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 NPC1 83/4885ABL1 3848/4885BCR 4513/4885

“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.