SCHEMBL2440905

SCHEMBL2440905

Cc1nc2s[c]nn2c(=O)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
DCTPP1 Q9H773 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
SCHEMBL2440902 0.76 KDM4E (0.31) KDM4EHSD17B10
SCHEMBL2440782 0.73 RXFP1 (0.41) KDM4EHTTALDH1A1MEN1TP53
SCHEMBL18336649 0.69 CYP1A2 (0.45) CYP1A2KDM4ELMNAHTTALDH1A1
SCHEMBL25263609 0.61 KDM4E (0.47) CYP1A2KDM4ELMNAHTTALDH1A1
SCHEMBL10847777 0.58 CYP1A2 (0.51) CYP1A2KDM4ELMNAHTTALDH1A1
SCHEMBL13934652 0.53 ALDH1A1 (0.54) KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL2680443 0.52 LMNA (0.36) CYP1A2KDM4ELMNAHTTALDH1A1
SCHEMBL20421684 0.51 TLR8 (0.44) CYP1A2KDM4ELMNAALDH1A1KMT2A
SCHEMBL13754208 0.51 CYP1A2 (0.32) CYP1A2LMNAHTTALDH1A1MEN1
SCHEMBL11461473 0.51 TLR8 (0.48) CYP1A2KDM4ELMNAALDH1A1HSD17B10

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
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-8017612-B2 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) 2011-09-13 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 CYP1A2 827/4885KDM4E 502/4885LMNA 2685/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H CYP1A2 1483/4885KDM4E 1378/4885LMNA 3947/4885

“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.