SCHEMBL15096079

SCHEMBL15096079

Cc1cc(N2CCN(C(=O)Cn3nc(-c4ncc[nH]4)c4c(N)ncnc43)CC2)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 18/20 0.58
TGFBR1 P36897 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39

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
SCHEMBL26188307 0.92 CCR1 (0.59) CCR1CYP2C19KCNH2
SCHEMBL1637661 0.90 CCR1 (0.72) CCR1CYP2C19KCNH2
SCHEMBL1846983 0.89 CCR1 (0.63) CCR1CYP2C19KCNH2
Hydrochloric Acid SCHEMBL3227494 0.89 CCR1 (0.71) CCR1CYP2C19KCNH2
SCHEMBL15096080 0.89 CCR1 (0.46) CCR1TGFBR1KCNH2FGFR1FGFR2
SCHEMBL3225786 0.89 CCR1 (0.53) CCR1
SCHEMBL15096078 0.88 CCR1 (0.46) CCR1TGFBR1KCNH2
Hydrochloric Acid SCHEMBL3227273 0.87 CCR1 (0.68) CCR1CYP2C19KCNH2
SCHEMBL1852652 0.87 CCR1 (0.59) CCR1CYP2C19KCNH2
SCHEMBL15096076 0.86 CCR1 (0.46) CCR1TGFBR1KCNH2FGFR1FGFR2

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
US-20170290808-A1 REDUCING TUMOR BURDEN BY ADMINISTERING CCR1 ANTAGONISTS IN COMBINATION WITH PD-1 INHIBITORS OR PD-L1 INHIBITORS CHEMOCENTRYX, INC. 2017-10-12 US disclosed
US-8946240-B2 4-amino-3-(imidazolyl)-pyrazolo[3,4-D]pyrimidines CHEMOCENTRYX, INC. (US) 2015-02-03 US disclosed
US-20130178623-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CHEMOCENTRYX, INC. (US) 2013-07-11 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-20170290808-A1 REDUCING TUMOR BURDEN BY ADMINISTERING CCR1 ANTAGONISTS IN COMBINATION WITH PD-1 INHIBITORS OR PD-L1 INHIBITORS CCR1, CCRL2, CCR3 CCR1 1/4885TGFBR1 175/4885CYP2C19 4406/4885
US-20130178623-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CCR1, CCR3, CCR4 CCR1 1/4885TGFBR1 595/4885CYP2C19 3511/4885

“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.