SCHEMBL2875478

SCHEMBL2875478

FC(F)(F)c1ccc(-c2[nH]nc(C(F)(F)F)c2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
KIF11 P52732 5/20 0.41
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ENPP1 P22413 1/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
MAPK13 O15264 1/20 0.38
RAF1 P04049 1/20 0.38
MAPK12 P53778 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
SCHEMBL2873737 0.86 MAPK1 (0.40) NOTUMTP53MAPTMAPK1CYP1A2
SCHEMBL16200078 0.85 MAPT (0.39) TP53MAPTMAPK1CYP1A2CYP3A4
SCHEMBL2870930 0.84 GAA (0.41) KIF11TP53MAPTMAPK1CYP1A2
SCHEMBL2873684 0.81 ENPP1 (0.44) MAPTMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL28724773 0.76 KIF11 (0.46) NOTUMKIF11TP53MAPTPOLB
SCHEMBL8593143 0.75 NPSR1 (0.43) MAPTPOLBKDM4ENPC1RAB9A
SCHEMBL16200084 0.74 CYP2A6 (0.41) CYP1A2CYP3A4NPC1RAB9A
SCHEMBL2876798 0.74 NT5E (0.42) NOTUMTP53MAPTMAPK1NISCH
SCHEMBL30639551 0.70 GYS1 (0.46) KIF11MAPK1PIK3CAMAP2K4MAPKAPK2
SCHEMBL2871119 0.70 NOTUM (0.37) NOTUMTP53MAPK1ENPP1POLB

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 18 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-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 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
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 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
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 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 (4 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 NOTUM 4580/4885KIF11 3529/4885TP53 3653/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 NOTUM 4580/4885KIF11 3529/4885TP53 3653/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 NOTUM 4652/4885KIF11 3637/4885TP53 2720/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 NOTUM 4580/4885KIF11 3529/4885TP53 3653/4885

“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.