SCHEMBL2117702

SCHEMBL2117702

Nc1ccc(C2=NC(Cc3ccccc3Cl)C(=O)N(C3CC3)c3ccc(Cl)cc32)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.36
LMNA P02545 1/20 0.36
PDE3A Q14432 1/20 0.36
PDE4D Q08499 2/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
BRD4 O60885 2/20 0.35
TP53 P04637 1/20 0.35
ROCK2 O75116 2/20 0.34
ALOX5AP P20292 4/20 0.34
FEN1 P39748 3/20 0.34
HTR2B P41595 1/20 0.34
CCKBR P32239 2/20 0.33
F11 P03951 1/20 0.33
INPPL1 O15357 1/20 0.32

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
SCHEMBL2118508 0.81 OPRK1 (0.38) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL2119819 0.80 TSHR (0.39) OPRK1LMNAPDE4DCHRM2ADRA2A
SCHEMBL2117818 0.78 CCKBR (0.55) LMNACCKBR
SCHEMBL2796264 0.73 TAAR1 (0.38) LMNACCKBRINPPL1
SCHEMBL2118502 0.72 OPRK1 (0.46) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL2602023 0.72 BRD4 (0.40) LMNABRD4TP53
SCHEMBL2264923 0.72 OPRK1 (0.57) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL11964629 0.72 OPRK1 (0.57) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL2117354 0.71 TSHR (0.40) OPRK1LMNAPDE4DCHRM2ADRA2A
SCHEMBL11964645 0.70 OPRK1 (0.55) OPRK1LMNAPDE3APDE4DCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604023-B2 1,4-benzodiazepinone compounds and their use in treating cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-12-10 US disclosed
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-19 US disclosed
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-19 US disclosed
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-19 US disclosed
WO-2010121164-A2 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-10-21 WO disclosed
WO-2010121164-A2 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-10-21 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-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER HTR4, HTR1A, HTR3B OPRK1 21/4885LMNA 2242/4885PDE3A 1976/4885

“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.