SCHEMBL902331

SCHEMBL902331

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 2/20 0.45
MCHR1 Q99705 1/20 0.40
MBOAT4 Q96T53 1/20 0.40
SCN5A Q14524 1/20 0.37
GCGR P47871 2/20 0.36
GIPR P48546 1/20 0.36
PDE2A O00408 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PLAT P00750 1/20 0.35
TRPM8 Q7Z2W7 3/20 0.35
DHODH Q02127 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL901602 0.86 CETP (0.42) KCNN3MCHR1MBOAT4
SCHEMBL902334 0.83 CCR2 (0.41) KCNN3CDK2
SCHEMBL15274708 0.82 CCR2 (0.44)
SCHEMBL902561 0.80 CCR2 (0.37) KCNN3CCNA2CDK2CCNA1
SCHEMBL902461 0.79 PDE2A (0.39) MBOAT4PDE2AJAK2JAK1TYK2
SCHEMBL902240 0.79 CCR2 (0.35) PDE2ACDK2
SCHEMBL902593 0.79 CCR2 (0.41) KCNN3MCHR1PDE2ACCNA2CDK2
SCHEMBL902701 0.78 CCR2 (0.50) KCNN3PLAT
SCHEMBL902639 0.78 CCR2 (0.38) KCNN3PDE2A
SCHEMBL902108 0.78 CCR2 (0.34) KCNN3CCNA2CDK2CCNA1

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 3 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
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 KCNN3 4658/4885MCHR1 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.