SCHEMBL901602

SCHEMBL901602

Oc1c(Cc2ccc(C(F)(F)F)cc2)c(C2CC2)nc2ccnn12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.42
MCHR1 Q99705 7/20 0.37
MBOAT4 Q96T53 3/20 0.37
CCR2 P41597 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
VKORC1 Q9BQB6 1/20 0.34
KCNN3 Q9UGI6 1/20 0.34
PDE8B O95263 1/20 0.33

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
SCHEMBL902701 0.87 CCR2 (0.50) CCR2KCNN3
SCHEMBL902639 0.87 CCR2 (0.38) CETPCCR2KCNN3
SCHEMBL902331 0.86 KCNN3 (0.45) MCHR1MBOAT4KCNN3
SCHEMBL902334 0.86 CCR2 (0.41) CCR2KCNN3
SCHEMBL902664 0.85 PDE2A (0.38) CETPCCR2KCNN3
SCHEMBL15274708 0.85 CCR2 (0.44) CCR2
SCHEMBL902690 0.84 PDE2A (0.36) CCR2
SCHEMBL902461 0.84 PDE2A (0.39) MBOAT4CCR2
SCHEMBL902561 0.82 CCR2 (0.37) CCR2KCNN3
SCHEMBL902376 0.82 PDE2A (0.39) CETP

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
US-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2013-09-26 US disclosed
US-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2013-09-26 US disclosed
EP-2621928-A1 7-HYDROXY-PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS Proximagen Limited (GB) 2013-08-07 EP disclosed
WO-2012041817-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-05 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 (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-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS CCR2, CCR5, CCR1 CETP 3753/4885MCHR1 314/4885MBOAT4 4612/4885

“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.