SCHEMBL4872523

SCHEMBL4872523

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
KMO O15229 1/20 0.54
EGFR P00533 5/20 0.52
ERBB3 P21860 5/20 0.52
RAB9A P51151 2/20 0.51
AURKA O14965 3/20 0.50
MKNK1 Q9BUB5 1/20 0.48
AURKB Q96GD4 1/20 0.47
HCAR3 P49019 1/20 0.46
BRAF P15056 2/20 0.45
TOP2A P11388 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
KDR P35968 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL5244511 0.98 NPC1 (0.56) NPC1KMOEGFRERBB3RAB9A
SCHEMBL5670452 0.86 NPC1 (0.56) NPC1KMOEGFRERBB3AURKA
Hydrochloric Acid SCHEMBL4869163 0.86 NPC1 (0.56) NPC1KMOEGFRERBB3MKNK1
SCHEMBL1243788 0.84 NPC1 (0.57) NPC1KMOEGFRERBB3MKNK1
SCHEMBL4874060 0.84 NPC1 (0.57) NPC1EGFRERBB3RAB9AMKNK1
SCHEMBL4724653 0.81 NPC1 (0.55) NPC1KMOEGFRERBB3RAB9A
SCHEMBL12487147 0.80 NPC1 (0.64) NPC1EGFRERBB3RAB9AMKNK1
SCHEMBL5674223 0.80 NPC1 (0.64) NPC1KMOEGFRERBB3AURKA
SCHEMBL857502 0.80 NPC1 (0.63) NPC1EGFRERBB3RAB9AMKNK1
SCHEMBL2283204 0.80 NPC1 (0.68) NPC1EGFRERBB3MKNK1KDR

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 3892/4885KMO 921/4885EGFR 2475/4885
US-20080076771-A1 Thrombopoietin Receptor Agonists MPL, THPO, TBXA2R NPC1 4382/4885KMO 4386/4885EGFR 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.