SCHEMBL2117490

SCHEMBL2117490

Cc1c(F)ccc2cc(C(C)N)c(N3CCN(C(N)=O)CC3)nc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.38
HRH4 Q9H3N8 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
MC4R P32245 2/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EIF2AK2 P19525 1/20 0.34
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL2117487 1.00 OPRK1 (0.38) OPRK1HRH4HTR1AHTR2AHTR7
SCHEMBL2113713 0.91 OPRK1 (0.38) OPRK1HRH4MC4RALDH1A1
SCHEMBL2113711 0.91 OPRK1 (0.38) OPRK1HRH4MC4RALDH1A1
SCHEMBL14481093 0.89 HPGD (0.39) OPRK1MC4RLMNAMAPT
SCHEMBL14481092 0.89 HPGD (0.39) OPRK1MC4RLMNAMAPT
SCHEMBL14481493 0.89 TP53 (0.44) OPRK1HRH4MC4RLMNAALDH1A1
SCHEMBL14481494 0.89 TP53 (0.44) OPRK1HRH4MC4RLMNAALDH1A1
Hydrochloric Acid SCHEMBL2113716 0.88 TP53 (0.44) OPRK1HRH4MC4RLMNAALDH1A1
Hydrochloric Acid SCHEMBL715476 0.88 TP53 (0.44) OPRK1HRH4MC4RLMNAALDH1A1
Hydrochloric Acid SCHEMBL721449 0.83 OPRK1 (0.40) OPRK1HRH4KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499129-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-07-30 EP disclosed
US-8653105-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2014-02-18 US disclosed
US-20130012517-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-01-10 US disclosed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA OPRK1 305/4885HRH4 1501/4885HTR1A 1762/4885
US-20130012517-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors PDXK, MAP2K2, PDPK1 OPRK1 161/4885HRH4 616/4885HTR1A 1833/4885

“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.