SCHEMBL14833711

SCHEMBL14833711

Cc1nn(C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(N4CCOCC4)cn3)cc12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 13/20 0.40
RAF1 P04049 5/20 0.32
BRAF P15056 5/20 0.32
HDAC1 Q13547 1/20 0.32
PIK3CA P42336 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
SCHEMBL17414335 0.96 CETP (0.38) CETPRAF1BRAFPIK3CA
SCHEMBL14833492 0.93 CETP (0.39) CETPRAF1BRAFHDAC1PIK3CA
SCHEMBL17414336 0.90 CETP (0.37) CETPRAF1BRAFPIK3CA
SCHEMBL16124231 0.89 CRHR1 (0.34) CETP
SCHEMBL14602959 0.87 CETP (0.36) CETP
SCHEMBL18636599 0.86 CETP (0.34) CETP
SCHEMBL14833658 0.84 MCHR1 (0.33) CETP
SCHEMBL15702949 0.84 CETP (0.33) CETP
SCHEMBL14837800 0.83 CETP (0.33) CETP
SCHEMBL14602961 0.83 CETP (0.42) CETPHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760864-B1 5-BENZYLAMINOMETHYL-6-AMINOPYRAZOLO[3,4-b]PYRIDINE DERIVATIVES AS CHOLESTERYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS USEFUL FOR THE TREATMENT OF ATHEROSCLEROSIS Dr Reddys Laboratories Ltd (IN) 2018-01-24 EP disclosed
US-20170071930-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS DR. REDDY'S LABORATORIES, LTD. (IN) 2017-03-16 US disclosed
US-20160000799-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS DR. REDDY'S LABORATORIES, LTD. (IN) 2016-01-07 US disclosed
US-20160000799-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS DR. REDDY'S LABORATORIES, LTD. (IN) 2016-01-07 US disclosed
US-9000007-B2 5-benzylaminomethyl-6-aminopyrazolo [3, 4 -B] pyridine derivatives as cholesteryl ester-transfer protein (CETP) inhibitors useful for the treatment of atherosclerosis DR. REDDY'S LABORATORIES LTD. (IN) 2015-04-07 US disclosed
US-9000007-B2 5-benzylaminomethyl-6-aminopyrazolo [3, 4 -B] pyridine derivatives as cholesteryl ester-transfer protein (CETP) inhibitors useful for the treatment of atherosclerosis DR. REDDY'S LABORATORIES LTD. (IN) 2015-04-07 US disclosed
US-20140288072-A1 5 - BENZYLAMINOMETHYL - 6 - AMINOPYRAZOLO [3, 4 -B] PYRIDINE DERIVATIVES AS CHOLESTERYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS USEFUL FOR THE TREATMENT OF ATHEROSCLEROSIS DR. REDDY'S LABORATORIES, LTD. (IN) 2014-09-25 US disclosed
US-20140288072-A1 5 - BENZYLAMINOMETHYL - 6 - AMINOPYRAZOLO [3, 4 -B] PYRIDINE DERIVATIVES AS CHOLESTERYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS USEFUL FOR THE TREATMENT OF ATHEROSCLEROSIS DR. REDDY'S LABORATORIES, LTD. (IN) 2014-09-25 US disclosed
WO-2014128564-A2 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-08-28 WO disclosed
EP-2760864-A1 5 - BENZYLAMINOMETHYL - 6 - AMINOPYRAZOLO [3, 4 -B]PYRIDINE DERIVATIVES AS CHOLESTERYL ESTER -TRANSFER PROTEIN (CETP) INHIBITORS USEFUL FOR THE TREATMENT OF ATHEROSCLEROSIS Dr. Reddy's Laboratories Ltd. (IN) 2014-08-06 EP disclosed
WO-2014076568-A2 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-05-22 WO disclosed
WO-2013046045-A1 5 - BENZYLAMINOMETHYL - 6 - AMINOPYRAZOLO [3, 4 -B] PYRIDINE DERIVATIVES AS CHOLESTERYL ESTER -TRANSFER PROTEIN (CETP) INHIBITORS USEFUL FOR THE TREATMENT OF ATHEROSCLEROSIS DR. REDDY'S LABORATORIES, LTD. (IN) 2013-04-04 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 (3 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-20140288072-A1 5 - BENZYLAMINOMETHYL - 6 - AMINOPYRAZOLO [3, 4 -B] PYRIDINE DERIVATIVES AS CHOLESTERYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS USEFUL FOR THE TREATMENT OF ATHEROSCLEROSIS CETP, MTTP, HDLBP CETP 1/4885RAF1 2475/4885BRAF 4114/4885
US-20160000799-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS CETP, LCAT, MTTP CETP 1/4885RAF1 4363/4885BRAF 4849/4885
US-20170071930-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS CETP, NPC1, CES1 CETP 1/4885RAF1 4001/4885BRAF 4756/4885

“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.