SCHEMBL10080243

SCHEMBL10080243

COc1cc(N2CCN(C(=O)Cn3nc(C=O)c4cccnc43)CC2)ccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.71
CYP2C19 P33261 1/20 0.55
KCNH2 Q12809 1/20 0.55

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
SCHEMBL13229290 0.90 CCR1 (0.58) CCR1CYP2C19KCNH2
SCHEMBL1639474 0.90 CCR1 (0.75) CCR1CYP2C19KCNH2
SCHEMBL10063611 0.89 CCR1 (0.56) CCR1CYP2C19KCNH2
SCHEMBL1638717 0.89 CCR1 (0.74) CCR1CYP2C19KCNH2
SCHEMBL12766295 0.88 CCR1 (0.73) CCR1CYP2C19KCNH2
SCHEMBL1639649 0.88 CCR1 (0.73) CCR1CYP2C19KCNH2
SCHEMBL1637482 0.88 CCR1 (0.73) CCR1CYP2C19KCNH2
SCHEMBL14620911 0.87 CCR1 (0.72) CCR1CYP2C19KCNH2
SCHEMBL1638587 0.87 CCR1 (0.72) CCR1CYP2C19KCNH2
SCHEMBL10063618 0.87 CCR1 (0.54) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2016-10-13 US disclosed
EP-2155712-B1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-B]PYRIDINES CHEMOCENTRYX INC (US) 2016-09-07 EP disclosed
US-9296740-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2016-03-29 US disclosed
US-20130184289-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-B]PYRIDINES CHEMOCENTRYX INC. (US) 2013-07-18 US disclosed
US-8481545-B2 3-(imidazolyl)-pyrazolo[3,4-b] pyridines CHEMOCENTRYX, INC. (US) 2013-07-09 US disclosed
US-8383630-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2013-02-26 US disclosed
US-20120010214-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CHEMOCENTRYX, INC. (US) 2012-01-12 US disclosed
US-7960388-B2 3-(imidazolyl)-pyrazolo[3,4-b]pyridines CHEMOCENTRYX, INC. (US) 2011-06-14 US disclosed
US-7960388-B2 3-(imidazolyl)-pyrazolo[3,4-b]pyridines CHEMOCENTRYX, INC. (US) 2011-06-14 US disclosed
US-20110098308-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2011-04-28 US disclosed
US-20100113472-A1 COMPOUNDS FOR THE TREATMENT OF OSTEOPOROSIS AND CANCERS CHEMOCENTRYX, INC. (US) 2010-05-06 US disclosed
US-20100113472-A1 COMPOUNDS FOR THE TREATMENT OF OSTEOPOROSIS AND CANCERS CHEMOCENTRYX, INC. (US) 2010-05-06 US disclosed
US-7629344-B2 3-(imidazolyl)-pyrazolo[3,4-b]pyridines CHEMOCENTRYX, INC. (US) 2009-12-08 US disclosed
US-7629344-B2 3-(imidazolyl)-pyrazolo[3,4-b]pyridines CHEMOCENTRYX, INC. (US) 2009-12-08 US disclosed
WO-2008147815-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-B]PYRIDINES CHEMOCENTRYX, INC. (US) 2008-12-04 WO disclosed
US-20080300257-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CHEMOCENTRYX, INC. (US) 2008-12-04 US disclosed
US-20080300257-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CHEMOCENTRYX, INC. (US) 2008-12-04 US disclosed
WO-2008147822-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2008-12-04 WO disclosed
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2008-03-06 US disclosed
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2008-03-06 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 (7 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-20130184289-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-B]PYRIDINES CCR1, CCR3, CCR4 CCR1 1/4885CYP2C19 3044/4885KCNH2 4405/4885
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 CCR1 1/4885CYP2C19 2476/4885KCNH2 4629/4885
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 CCR1 1/4885CYP2C19 2476/4885KCNH2 4629/4885
US-20080300257-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CCR1, CCR3, CCR4 CCR1 1/4885CYP2C19 3044/4885KCNH2 4405/4885
US-20110098308-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 CCR1 1/4885CYP2C19 2476/4885KCNH2 4629/4885
US-20100113472-A1 COMPOUNDS FOR THE TREATMENT OF OSTEOPOROSIS AND CANCERS SOST, VDR, PTH1R CCR1 1499/4885CYP2C19 2515/4885KCNH2 2862/4885
US-20120010214-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CCR1, CCR3, CCR4 CCR1 1/4885CYP2C19 3044/4885KCNH2 4405/4885

“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.