SCHEMBL901877

SCHEMBL901877

Cc1nc2ccnn2c(O)c1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 7/20 0.50
EGLN1 Q9GZT9 1/20 0.37
VKORC1 Q9BQB6 1/20 0.37
IDH1 O75874 1/20 0.36
KCNN3 Q9UGI6 1/20 0.36
ALKBH3 Q96Q83 1/20 0.35
RORC P51449 2/20 0.35
RUVBL1 Q9Y265 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL15274700 0.85 HSD17B10 (0.45) MBOAT4KCNN3RUVBL1ALDH1A1
SCHEMBL902316 0.83 ENPP2 (0.47) KCNN3NPC1ALDH1A1GAA
SCHEMBL901602 0.81 CETP (0.42) MBOAT4VKORC1KCNN3
SCHEMBL15274725 0.78 HTT (0.37) KCNN3ALKBH3ALDH1A1GAA
SCHEMBL15261835 0.75 HSD17B10 (0.61) MBOAT4RUVBL1ALDH1A1GAA
SCHEMBL14013824 0.75 PRKAB2 (0.39) KCNN3NPC1ALDH1A1
SCHEMBL902541 0.75 CCR2 (0.37) MBOAT4KCNN3ALDH1A1
SCHEMBL901795 0.75 MBOAT4 (0.39) MBOAT4ALDH1A1
SCHEMBL902221 0.72 ENPP1 (0.51) VKORC1IDH1ALDH1A1
SCHEMBL902332 0.72 KCNN3 (0.39) KCNN3

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 5 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
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 MBOAT4 4612/4885EGLN1 1652/4885VKORC1 1176/4885

“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.