SCHEMBL2688403

SCHEMBL2688403

COc1nc(CN)ccc1C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 3/20 0.34
PDCD1LG2 Q9BQ51 2/20 0.34
MBOAT4 Q96T53 1/20 0.33
PDCD1 Q15116 1/20 0.33
SQOR Q9Y6N5 1/20 0.33
POLB P06746 1/20 0.32
LOX P28300 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL15148418 0.82 APOBEC3A (0.38) MBOAT4SQORALDH1A1HPGDNOS3
SCHEMBL438335 0.80 KEAP1 (0.37) CD274PDCD1LG2KDM4ECYP1A2
SCHEMBL8817627 0.80 CCR1 (0.43) CD274PDCD1LG2MBOAT4SQORPOLB
SCHEMBL25241997 0.78 MBOAT4 (0.46) CD274PDCD1LG2MBOAT4PDCD1LOX
SCHEMBL31017389 0.78 MBOAT4 (0.46) CD274PDCD1LG2MBOAT4PDCD1LOX
SCHEMBL12179232 0.77 HTR7 (0.36) CD274PDCD1LG2MBOAT4PDCD1KDM4E
Hydrochloric Acid SCHEMBL30117102 0.74 CNR2 (0.45) MBOAT4LOXLOXL2ALDH1A1KDM4E
SCHEMBL13343550 0.74 L3MBTL1 (0.50) ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL2125060 0.74 NOS3 (0.50) NOS3NOS1NOS2
SCHEMBL2255473 0.73 HCRTR2 (0.35) CD274PDCD1LG2PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP CD274 1811/4885PDCD1LG2 3255/4885MBOAT4 4309/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H CD274 2852/4885PDCD1LG2 3598/4885MBOAT4 4276/4885

“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.