SCHEMBL15033797

SCHEMBL15033797

COc1nc(Cl)c(C)c(Nc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PDE10A Q9Y233 1/20 0.41
GUSB P08236 1/20 0.40
PDGFRB P09619 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CLK1 P49759 1/20 0.40
EPHA2 P29317 3/20 0.39
KDR P35968 3/20 0.39
EPHB4 P54760 3/20 0.39
NPY5R Q15761 1/20 0.39
BRD4 O60885 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL15033718 0.82 MAPT (0.43) MAPTGAATP53SMN1; SMN2NPC1
SCHEMBL15033703 0.77 MAPT (0.63) MAPTTP53SMN1; SMN2RAPGEF4LMNA
SCHEMBL15083664 0.76 CCR2 (0.43) MAPTGAATP53SMN1; SMN2RAPGEF4
SCHEMBL16257510 0.76 RAPGEF4 (0.41) MAPTTP53SMN1; SMN2RAPGEF4NPC1
SCHEMBL275004 0.68 CYP1A2 (0.48) MAPTGAASMN1; SMN2PDE10AMEN1
SCHEMBL17526195 0.68 BRD4 (0.58) MAPTGAANPC1RAB9APDGFRB
SCHEMBL10956452 0.67 ERBB2 (0.55) TP53SMN1; SMN2RAPGEF4NPC1RAB9A
SCHEMBL15119853 0.67 NPC1 (0.43) MAPTSMN1; SMN2NPC1RAB9ADYRK1A
SCHEMBL15033751 0.67 KMO (0.45) MAPTSMN1; SMN2RAPGEF4NPC1RAB9A
SCHEMBL9629953 0.66 MAPT (0.65) MAPTGAATP53SMN1; SMN2RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2721025-B1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-11-25 EP disclosed
US-8946218-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
EP-2569295-B1 NEW CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 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 (1 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-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS CCR2, CCRL2, CXCR2 MAPT 4161/4885GAA 4851/4885TP53 4727/4885

“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.