SCHEMBL6093499

SCHEMBL6093499

NC(=O)c1cccc(Cc2ccccn2)c1N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
PARP10 Q53GL7 1/20 0.43
PARP1 P09874 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADRA1D P25100 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
PNP P00491 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPRA P18433 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL166483 0.88 PARP10 (0.48) AURKARPS6KB1PARP10PARP1L3MBTL1
SCHEMBL29818128 0.88 PARP10 (0.48) AURKARPS6KB1PARP10PARP1L3MBTL1
SCHEMBL27742792 0.86 L3MBTL1 (0.41) AURKARPS6KB1PARP10L3MBTL1SMN1; SMN2
SCHEMBL5792277 0.85 AURKA (0.46) AURKARPS6KB1PARP10PARP1L3MBTL1
SCHEMBL28310418 0.85 AURKA (0.46) AURKARPS6KB1PARP10PARP1L3MBTL1
SCHEMBL28310416 0.83 AURKA (0.44) AURKARPS6KB1PARP10PARP1L3MBTL1
SCHEMBL3644075 0.81 AURKA (0.50) AURKARPS6KB1PARP10PARP1L3MBTL1
SCHEMBL29394547 0.81 AURKA (0.50) AURKARPS6KB1PARP10PARP1L3MBTL1
Benzamide SCHEMBL18171705 0.81 PARP10 (0.52) AURKARPS6KB1PARP10PARP1L3MBTL1
SCHEMBL8943463 0.81 ABCB11 (0.45) ALDH1A1HPGDKDM4EHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782407-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-10-10 US disclosed
EP-1848430-B1 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-08-02 EP disclosed
EP-1981342-B1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS REDDYS LAB LTD DR (IN) 2016-11-30 EP disclosed
US-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-08-06 US disclosed
US-9040558-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-05-26 US disclosed
CN-101443006-B Novel benzylamine derivatives as CETP inhibitors REDDY US THERAPEUTICS INC 2012-10-10 CN disclosed
CN-101443006-A Novel benzylamine derivatives as CETP inhibitors REDDY US THERAPEUTICS INC (US) 2009-05-27 CN disclosed
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2006-08-10 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-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, MTTP AURKA 4723/4885RPS6KB1 2890/4885PARP10 774/4885
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors CETP, NPC1, LIPC AURKA 4323/4885RPS6KB1 3413/4885PARP10 146/4885

“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.