SCHEMBL899061

SCHEMBL899061

Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.70
EPAS1 Q99814 1/20 0.70
LMNA P02545 6/20 0.69
HTT P42858 2/20 0.69
TSHR P16473 4/20 0.68
MAPK1 P28482 1/20 0.68
ALDH1A1 P00352 5/20 0.67
KDM4E B2RXH2 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.66
USP2 O75604 1/20 0.62
GAA P10253 2/20 0.62
NPC1 O15118 1/20 0.61
MEN1 O00255 3/20 0.60
HIF1A Q16665 1/20 0.60
RAB9A P51151 1/20 0.58

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
SCHEMBL10143953 0.87 KMT2A (0.73) KMT2AEPAS1LMNAHTTTSHR
SCHEMBL30395007 0.85 KMT2A (0.79) KMT2AEPAS1LMNAHTTTSHR
SCHEMBL27927962 0.85 LMNA (0.81) KMT2AEPAS1LMNAHTTTSHR
SCHEMBL3541913 0.84 KMT2A (0.78) KMT2AEPAS1LMNAHTTTSHR
SCHEMBL30395752 0.82 EPAS1 (1.00) KMT2AEPAS1LMNAHTTTSHR
SCHEMBL899489 0.81 EPAS1 (0.77) KMT2AEPAS1LMNAHTTTSHR
SCHEMBL898932 0.79 LMNA (0.71) KMT2AEPAS1LMNAHTTTSHR
SCHEMBL457976 0.78 LMNA (0.70) KMT2AEPAS1LMNAHTTTSHR
SCHEMBL12691835 0.77 LMNA (0.69) KMT2AEPAS1LMNAHTTTSHR
SCHEMBL903091 0.77 KDM4E (0.69) KMT2AEPAS1LMNAHTTTSHR

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-2621920-B1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2016-01-27 EP disclosed
EP-2621920-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-08-07 EP disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 US disclosed
WO-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 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 (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-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, BAZ2A KMT2A 548/4885EPAS1 1305/4885LMNA 2527/4885

“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.