SCHEMBL1880592

SCHEMBL1880592

COC(=O)c1cc(C#N)cc2c1ccn2-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.55
LMNA P02545 3/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 8/20 0.48
HPGD P15428 7/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP3A4 P08684 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.41
NR4A2 P43354 1/20 0.39

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
SCHEMBL1876893 0.85 LMNA (0.43) KDM4ELMNAHTTALDH1A1HPGD
SCHEMBL1887034 0.82 KDM4E (0.51) KDM4ELMNAHTTALDH1A1HPGD
SCHEMBL1135952 0.80 CCR1 (0.50) KDM4ELMNAHTTHPGDTSHR
SCHEMBL701178 0.78 KMT2A (0.54) KDM4ELMNAALDH1A1HPGDMAPT
SCHEMBL699301 0.75 KDM4E (0.51) KDM4ELMNAHTTALDH1A1HPGD
SCHEMBL1875936 0.73 KDM4E (0.41) KDM4ELMNAHTTALDH1A1HPGD
SCHEMBL12070632 0.73 KMT2A (0.49) KDM4ELMNAALDH1A1HPGDMAPT
SCHEMBL1874628 0.73 CCR1 (0.57) KDM4ELMNAHTTALDH1A1SMN1; SMN2
SCHEMBL149014 0.68 KDM4E (0.54) KDM4ELMNAHTTALDH1A1HPGD
SCHEMBL18002655 0.68 KDM4E (0.54) KDM4ELMNAHTTALDH1A1HPGD

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
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
EP-2493875-A1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-09-05 EP disclosed
WO-2011056440-A1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 WO 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 KDM4E 4189/4885LMNA 3888/4885HTT 4199/4885

“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.