SCHEMBL1135952

SCHEMBL1135952

COC(=O)c1cc(C#N)cc2c1cnn2-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.50
MAPK14 Q16539 2/20 0.46
PGR P06401 1/20 0.46
CYP11B2 P19099 2/20 0.43
CYP11B1 P15538 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
NR3C1 P04150 1/20 0.41
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL1135640 0.86 MAPK14 (0.49) CCR1MAPK14PGRKDM4ENR3C1
SCHEMBL1135695 0.83 CCR1 (0.52) CCR1CYP11B2CYP11B1LMNAPKM
SCHEMBL1671273 0.83 CCR1 (0.52) CCR1CYP11B2CYP11B1LMNAPKM
SCHEMBL1880592 0.80 KDM4E (0.55) LMNAKDM4EHTTHPGDTSHR
SCHEMBL1135667 0.79 CCR1 (0.66) CCR1CYP11B2CYP11B1NR3C1
SCHEMBL1135767 0.75 CCR1 (0.73) CCR1
SCHEMBL1135718 0.75 CCR1 (0.53) CCR1
SCHEMBL1135506 0.74 CCR1 (0.73) CCR1
SCHEMBL1135689 0.74 CCR1 (0.77) CCR1
SCHEMBL1135770 0.74 CCR1 (0.47) CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285783-B1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-21 EP disclosed
US-8263597-B2 Indazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-11 US disclosed
US-8263597-B2 Indazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-11 US disclosed
US-8263597-B2 Indazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-11 US disclosed
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-8008327-B2 Indazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-30 US disclosed
US-8008327-B2 Indazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-30 US disclosed
US-8008327-B2 Indazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-30 US disclosed
EP-2285783-A1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2011-02-23 EP disclosed
US-20110034512-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-10 US disclosed
US-20110034512-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-10 US disclosed
US-20110034512-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-10 US disclosed
WO-2009134666-A1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-05 WO 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-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCRL2 CCR1 1/4885MAPK14 2049/4885PGR 2809/4885
US-20110034512-A1 Indazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCRL2 CCR1 1/4885MAPK14 2049/4885PGR 2809/4885

“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.