SCHEMBL15096077

SCHEMBL15096077

Cc1cc(N2CCN(C(=O)Cn3nc(-c4ncc[nH]4)c4c(N)ncnc43)[C@@H](C)C2)c(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.37
CXCR3 P49682 12/20 0.37
TGFBR1 P36897 3/20 0.35
LIMK2 P53671 2/20 0.34
ROCK2 O75116 1/20 0.33
LIMK1 P53667 1/20 0.33
ROCK1 Q13464 1/20 0.33
KCNH2 Q12809 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
SCHEMBL3226671 0.91 CCR1 (0.45) CCR1CXCR3
SCHEMBL3226680 0.91 CCR1 (0.45) CCR1CXCR3
SCHEMBL3223618 0.90 CXCR3 (0.39) CCR1CXCR3
SCHEMBL3223629 0.90 CXCR3 (0.39) CCR1CXCR3
SCHEMBL15096076 0.89 CCR1 (0.46) CCR1TGFBR1KCNH2
SCHEMBL15096078 0.87 CCR1 (0.46) CCR1CXCR3TGFBR1LIMK2KCNH2
SCHEMBL26188298 0.85 CCR1 (0.45) CCR1CXCR3KCNH2
SCHEMBL10063573 0.84 CCR1 (0.54) CCR1CXCR3
SCHEMBL3224268 0.83 CCR1 (0.42) CCR1CXCR3TGFBR1LIMK2KCNH2
SCHEMBL3225299 0.83 CCR1 (0.42) CCR1CXCR3TGFBR1LIMK2KCNH2

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 1/4885CXCR3 9/4885TGFBR1 175/4885
US-20130178623-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CCR1, CCR3, CCR4 CCR1 1/4885CXCR3 11/4885TGFBR1 595/4885

“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.