SCHEMBL15096080

SCHEMBL15096080

Cc1cc(N2CCN(C(=O)Cn3nc(-c4ncc[nH]4)c4c(N)ncnc43)C(C)(C)C2)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.46
PIK3CA P42336 6/20 0.37
PIK3CG P48736 6/20 0.37
TGFBR1 P36897 5/20 0.36
PIK3CD O00329 6/20 0.34
PIK3CB P42338 5/20 0.34
PRKDC P78527 5/20 0.34
ABL1 P00519 4/20 0.34
EGFR P00533 4/20 0.34
HCK P08631 4/20 0.34
SRC P12931 4/20 0.34
KDR P35968 4/20 0.34
MTOR P42345 4/20 0.34
EPHB4 P54760 4/20 0.34
PI4KB Q9UBF8 4/20 0.34
KCNH2 Q12809 2/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34

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
SCHEMBL26188308 0.93 CCR1 (0.47) CCR1KCNH2
SCHEMBL3227481 0.91 CCR1 (0.58) CCR1KCNH2
SCHEMBL15096079 0.89 CCR1 (0.58) CCR1TGFBR1KCNH2FGFR1FGFR2
Hydrochloric Acid SCHEMBL15092786 0.88 CCR1 (0.55) CCR1KCNH2
SCHEMBL3234449 0.86 CCR1 (0.43) CCR1TGFBR1FGFR1FGFR2FGFR4
SCHEMBL15096078 0.85 CCR1 (0.46) CCR1PIK3CAPIK3CGTGFBR1PIK3CD
SCHEMBL26188307 0.81 CCR1 (0.59) CCR1KCNH2
SCHEMBL1637661 0.79 CCR1 (0.72) CCR1KCNH2
Hydrochloric Acid SCHEMBL3227494 0.79 CCR1 (0.71) CCR1KCNH2
SCHEMBL1846983 0.79 CCR1 (0.63) CCR1KCNH2

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 1/4885PIK3CA 3162/4885PIK3CG 4375/4885
US-20130178623-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CCR1, CCR3, CCR4 CCR1 1/4885PIK3CA 1855/4885PIK3CG 2376/4885

“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.