SCHEMBL14039775

SCHEMBL14039775

CNC(=O)NCc1c(Cl)c(C(F)(F)F)nn1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
CCR1 P32246 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 1/20 0.34
P2RX7 Q99572 4/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL14046081 0.88 KDM4E (0.41) KDM4ERECQLTDP1CCR1MEN1
SCHEMBL13066243 0.85 KDM4E (0.41) KDM4ERECQLTDP1CCR1KMT2A
SCHEMBL14039937 0.84 KDM4E (0.46) KDM4ERECQLTDP1CCR1MEN1
SCHEMBL14015667 0.83 KDM4E (0.37) KDM4ERECQLTDP1CCR1POLB
SCHEMBL14039878 0.82 KDM4E (0.41) KDM4ERECQLTDP1CCR1MEN1
SCHEMBL16200386 0.81 KDM4E (0.39) KDM4ERECQLTDP1CCR1MEN1
SCHEMBL16200277 0.74 KDM4E (0.41) KDM4ERECQLCCR1MEN1KMT2A
SCHEMBL13066244 0.73 KDM4E (0.40) KDM4ERECQLTDP1CCR1SMN1; SMN2
SCHEMBL2873126 0.72 CCR1 (0.68) CCR1CYP2C19
SCHEMBL14046049 0.72 KDM4E (0.39) KDM4ERECQLTDP1CCR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449576-B1 potent antagonists of the CCR1 receptor; inflammation; (5-Chloro-2-piperazin-1-yl-phenyl)-phenyl-methanone CHEMOCENTRYX, INC. (US) 2008-11-11 US disclosed
US-20080261987-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2008-10-23 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-20080261987-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 KDM4E 3526/4885RECQL 4378/4885TDP1 4391/4885

“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.