SCHEMBL3464266

SCHEMBL3464266

Cc1n[nH]c(C(F)(F)F)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 7/20 0.39
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ GAA P10253 3/20 0.35
▸ GLA P06280 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GYS1 P13807 1/20 0.31
▸ GRM5 P41594 2/20 0.31
▸ MAPT P10636 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL19120570 0.80 — —
SCHEMBL19120577 0.76 — —
SCHEMBL20623293 0.73 — —
SCHEMBL12121211 0.72 DYRK1A (0.46) DHODH
SCHEMBL4361606 0.72 — —
SCHEMBL15556607 0.70 — —
SCHEMBL3465033 0.70 DYRK1A (0.33) —
SCHEMBL1923507 0.68 — —
SCHEMBL4350923 0.68 — —
SCHEMBL4358069 0.68 — —

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 — — US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 — — US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 — — US disclosed
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 — — EP disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 — — EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 — — US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 — — US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 — — 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 (3 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-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 DHODH 3959/4885ALDH1A1 951/4885KDM4E 3949/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 DHODH 3959/4885ALDH1A1 951/4885KDM4E 3949/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 DHODH 3959/4885ALDH1A1 951/4885KDM4E 3949/4885

“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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