SCHEMBL4874060

SCHEMBL4874060

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
ROCK1 Q13464 1/20 0.52
EGFR P00533 6/20 0.51
ERBB3 P21860 5/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MKNK1 Q9BUB5 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.46
CDC25A P30304 1/20 0.46
CDC25B P30305 1/20 0.46
MAPK1 P28482 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
USP2 O75604 1/20 0.44
TSHR P16473 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
SCHEMBL13968498 0.87 EGFR (0.65) NPC1EGFRERBB3KMT2AMEN1
SCHEMBL691525 0.85 ROCK1 (0.57) NPC1ROCK1EGFRERBB3KMT2A
SCHEMBL4872523 0.84 NPC1 (0.57) NPC1EGFRERBB3MKNK1RAB9A
SCHEMBL5670452 0.82 NPC1 (0.56) NPC1ROCK1EGFRERBB3KDM4E
Hydrochloric Acid SCHEMBL4869163 0.82 NPC1 (0.56) NPC1EGFRERBB3KMT2AMEN1
SCHEMBL5244511 0.82 NPC1 (0.56) NPC1EGFRERBB3MKNK1RAB9A
SCHEMBL15487877 0.81 NPC1 (0.49) NPC1EGFRERBB3KMT2AMEN1
SCHEMBL2225213 0.81 ABL1 (0.53) NPC1EGFRERBB3HPGD
SCHEMBL4868647 0.81 ROCK1 (0.50) NPC1ROCK1EGFRERBB3KMT2A
SCHEMBL23291926 0.80 ALDH1A1 (0.52) NPC1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080076771-A1 Thrombopoietin Receptor Agonists REITER LAWRENCE A 2008-03-27 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-1794156-A2 TROMBOPOIETIN RECEPTOR AGONISTS Pfizer Products Incorporated (US) 2007-06-13 EP 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-2006033005-A2 THROMBOPOIETIN RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2006-03-30 WO 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 (2 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 3892/4885ROCK1 488/4885EGFR 2475/4885
US-20080076771-A1 Thrombopoietin Receptor Agonists MPL, THPO, TBXA2R NPC1 4382/4885ROCK1 2928/4885EGFR 996/4885

“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.