SCHEMBL12670788

SCHEMBL12670788

Fc1ccc(-n2ncc3c(Cl)nncc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.45
▸ CYP17A1 P05093 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ NR3C1 P04150 10/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PGR P06401 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL12670787 0.81 NR3C1 (0.46) MAPK14CYP17A1CYP1A2NR3C1SMN1; SMN2
SCHEMBL25343903 0.80 MAPK14 (0.49) MAPK14CYP17A1CYP1A2L3MBTL1
SCHEMBL31440063 0.78 CYP17A1 (0.47) CYP17A1CYP1A2NR3C1SMN1; SMN2HTT
SCHEMBL12670790 0.77 MAPK14 (0.45) MAPK14CYP17A1CYP1A2NR3C1CCR1
SCHEMBL12670789 0.70 SLC5A1 (0.49) SMN1; SMN2KDM4EMEN1KMT2ATP53
SCHEMBL567717 0.70 CYP17A1 (0.45) CYP17A1CYP1A2NR3C1CCR1L3MBTL1
SCHEMBL13387475 0.69 TP53 (0.59) SMN1; SMN2HTTKDM4ETP53MAPT
SCHEMBL31051085 0.69 SMN1; SMN2 (0.48) CYP17A1CYP1A2SMN1; SMN2HTTKDM4E
SCHEMBL12800131 0.69 CCR1 (0.50) CYP17A1CYP1A2NR3C1CCR1
SCHEMBL303982 0.68 CYP17A1 (0.56) MAPK14CYP17A1CYP1A2NR3C1CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927550-B2 Heterocyclic compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 — — US disclosed
US-8927550-B2 Heterocyclic compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 — — US disclosed
US-8927550-B2 Heterocyclic compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 — — US disclosed
EP-2493875-B1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 — — EP disclosed
EP-2493875-B1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 — — EP disclosed
US-20120270879-A1 Heterocyclic Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 — — US disclosed
US-20120270879-A1 Heterocyclic Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 — — US disclosed
US-20120270879-A1 Heterocyclic Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 — — US disclosed
WO-2011056440-A1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 — — 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 (1 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-20120270879-A1 Heterocyclic Compounds As CCR1 Receptor Antagonists CCR1, CCRL2, CCR3 MAPK14 4297/4885CYP17A1 1264/4885CYP1A2 835/4885

“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.

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