SCHEMBL3223541

SCHEMBL3223541

COc1cc(N2CCN(C(=O)Cn3nc(-c4ncc[nH]4)c4c(N)ncnc43)C(C)C2)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.57
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL3232495 1.00 CCR1 (0.57) CCR1CYP2C19KCNH2
SCHEMBL3232577 0.94 CCR1 (0.50) CCR1KCNH2
SCHEMBL3234396 0.94 CCR1 (0.50) CCR1KCNH2
SCHEMBL15096078 0.91 CCR1 (0.46) CCR1KCNH2
SCHEMBL19449054 0.91 CCR1 (0.56) CCR1CYP2C19KCNH2
SCHEMBL1637661 0.89 CCR1 (0.72) CCR1CYP2C19KCNH2
SCHEMBL3224268 0.89 CCR1 (0.42) CCR1KCNH2
SCHEMBL3225299 0.89 CCR1 (0.42) CCR1KCNH2
SCHEMBL16519768 0.88 CCR1 (0.44) CCR1KCNH2
SCHEMBL15092784 0.88 CCR1 (0.52) CCR1CYP2C19KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323663-B1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CHEMOCENTRYX INC (US) 2015-02-25 EP claimed
US-20100069396-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CHEMOCENTRYX, INC. (US) 2010-03-18 US claimed
EP-3439653-B1 REDUCING TUMOR BURDEN BY ADMINISTERING CCR1 ANTAGONISTS IN COMBINATION WITH PD-1 INHIBITORS OR PD-L1 INHIBITORS CHEMOCENTRYX INC (US) 2021-01-20 EP disclosed
EP-2323663-B1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CHEMOCENTRYX INC (US) 2015-02-25 EP 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
US-8343975-B2 4-amino-3-(imidazolyl)-pyrazolo[3,4-D]pyrimidines CHEMOCENTRYX, INC. 2013-01-01 US disclosed
US-20100069396-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CHEMOCENTRYX, INC. (US) 2010-03-18 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-20100069396-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CCR1, CCR3, CCR4 CCR1 1/4885CYP2C19 3511/4885KCNH2 4589/4885
US-20130178623-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CCR1, CCR3, CCR4 CCR1 1/4885CYP2C19 3511/4885KCNH2 4589/4885

“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.