SCHEMBL12040688

SCHEMBL12040688

Cc1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C)c2)c1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.80
CCR2 P41597 3/20 0.80
CYP2C9 P11712 1/20 0.66
TNNI3K Q59H18 9/20 0.46
BRAF P15056 3/20 0.46
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36

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
SCHEMBL127931 0.94 CCR2 (0.81) CYP3A4CCR2CYP2C9TNNI3KBRAF
SCHEMBL12040697 0.93 CYP2C9 (0.77) CYP3A4CCR2CYP2C9TNNI3KBRAF
SCHEMBL12040686 0.92 CYP3A4 (0.72) CYP3A4CCR2CYP2C9TNNI3KBRAF
Ilacirnon SCHEMBL30231013 0.89 CCR2 (1.00) CYP3A4CCR2CYP2C9TNNI3KBRAF
Ilacirnon SCHEMBL127113 0.89 CCR2 (1.00) CYP3A4CCR2CYP2C9TNNI3KBRAF
Ilacirnon SCHEMBL29395065 0.89 CCR2 (1.00) CYP3A4CCR2CYP2C9TNNI3KBRAF
Ilacirnon SCHEMBL31378455 0.89 CCR2 (1.00) CYP3A4CCR2CYP2C9TNNI3KBRAF
Ilacirnon SCHEMBL125684 0.89 CCR2 (1.00) CYP3A4CCR2CYP2C9TNNI3KBRAF
SCHEMBL12040695 0.88 CYP3A4 (0.63) CYP3A4CCR2CYP2C9TNNI3KBRAF
Ilacirnon SCHEMBL125683 0.88 CCR2 (0.98) CYP3A4CCR2CYP2C9TNNI3KBRAF

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-9745312-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CHEMOCENTRYX, INC. (US) 2017-08-29 US disclosed
US-20170022205-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. (US) 2017-01-26 US disclosed
US-9394307-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CHEMOCENTRYX, INC. (US) 2016-07-19 US disclosed
US-8546408-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CHEMOCENTRYX, INC. (US) 2013-10-01 US disclosed
US-20110319433-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. 2011-12-29 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 (2 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-20170022205-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 CYP3A4 1134/4885CCR2 1/4885CYP2C9 1281/4885
US-20110319433-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 CYP3A4 1134/4885CCR2 1/4885CYP2C9 1281/4885

“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.