SCHEMBL2400367

SCHEMBL2400367

NC(=O)[CH]c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 1/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ KMO O15229 2/20 0.39
▸ AR P10275 1/20 0.39
▸ NPFFR1 Q9GZQ6 2/20 0.39
▸ NPFFR2 Q9Y5X5 2/20 0.39
▸ GRM4 Q14833 1/20 0.38
▸ APP P05067 1/20 0.38
▸ VNN1 O95497 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ CFTR P13569 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ TAS1R2 Q8TE23 1/20 0.38

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
SCHEMBL3182714 0.86 KIF11 (0.51) KIF11KDR
SCHEMBL29470166 0.85 KDR (0.51) NR3C2KDRAPP
SCHEMBL13358948 0.80 NR3C2 (0.40) NR3C2KIF11EPHX1KMOAR
SCHEMBL13358922 0.79 NR3C2 (0.40) NR3C2KIF11EPHX1KMOAR
SCHEMBL3161665 0.79 PLA2G7 (0.49) —
SCHEMBL67628 0.77 KIF11 (0.58) KIF11KMOARAPP
SCHEMBL10299815 0.77 KIF11 (0.58) KIF11KMOARAPP
SCHEMBL692665 0.76 KDM4E (0.50) APP
SCHEMBL692664 0.76 KDM4E (0.50) APP
SCHEMBL2678569 0.75 CYP1A2 (0.57) KIF11

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
EP-2297112-B1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2013-04-03 — — EP disclosed
US-8293917-B2 Pyrazole compounds as CCR1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 — — US disclosed
US-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-22 — — 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-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists CCR1, CCR3, CCR4 NR3C2 857/4885KIF11 2391/4885EPHX1 1019/4885

“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.

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