SCHEMBL15033703

SCHEMBL15033703

COc1nc(Cl)c(C)c(Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
LMNA P02545 1/20 0.63
MAPK1 P28482 1/20 0.63
APP P05067 3/20 0.52
ABCG2 Q9UNQ0 3/20 0.50
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CCR2 P41597 1/20 0.49
CCR5 P51681 1/20 0.49
EGFR P00533 2/20 0.48
IDH2 P48735 2/20 0.48
CTSC P53634 5/20 0.47
POLB P06746 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.45
SYK P43405 1/20 0.45

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
SCHEMBL15033667 0.81 LMNA (0.58) MAPTLMNAMAPK1ABCG2EGFR
SCHEMBL10016360 0.78 MAPT (1.00) MAPTLMNAMAPK1APPABCG2
SCHEMBL15033797 0.77 MAPT (0.49) MAPTLMNATP53SMN1; SMN2RAPGEF4
SCHEMBL16257538 0.74 EGFR (0.61) MAPTLMNAMAPK1APPABCG2
SCHEMBL15119852 0.71 HTR6 (0.47) MAPTLMNAMAPK1
SCHEMBL22864104 0.68 AKR1C3 (0.61) MAPTLMNAMAPK1APPABCG2
SCHEMBL17432160 0.68 ABCG2 (0.65) MAPTLMNAMAPK1ABCG2TP53
SCHEMBL28843677 0.68 APP (0.65) MAPTLMNAMAPK1APPABCG2
SCHEMBL24842912 0.68 CTSC (0.78) APPCTSC
SCHEMBL21499963 0.68 MAPT (0.67) MAPTLMNAMAPK1APPABCG2

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 4161/4885LMNA 4785/4885MAPK1 1837/4885

“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.