SCHEMBL8277374

SCHEMBL8277374

CC(C)C(C)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
GOPC Q9HD26 1/20 0.54
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
CYP19A1 P11511 2/20 0.47
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNN4 O15554 1/20 0.43
KCNA5 P22460 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42

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
SCHEMBL20784538 1.00 CFTR (0.54) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL18022518 1.00 CFTR (0.54) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL19413051 1.00 CFTR (0.54) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL27421340 0.84 CFTR (0.63) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL19318460 0.83 CFTR (0.50) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL19318473 0.83 CFTR (0.50) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL26077987 0.83 KDM4E (0.53) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL19318472 0.83 CFTR (0.50) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL10442614 0.82 CFTR (0.54) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL30391667 0.81

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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2024-07-04 US disclosed
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2024-07-04 US disclosed
US-11826351-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2023-11-28 US disclosed
US-20230373930-A1 AMINOIMIDAZOLE FPR2 AGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-11-23 US disclosed
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-11-23 US disclosed
US-20230295166-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-09-21 US disclosed
US-20230279007-A1 Compounds for Improving mRNA Splicing THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2023-09-07 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases SCHERING CORPORATION 2007-02-08 US disclosed
US-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases SCHERING CORPORATION 2007-02-08 US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 US disclosed
WO-2005113581-A1 SUBSTITUTED PROLINES AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-12-01 WO disclosed
WO-2005087731-A1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 WO disclosed
WO-2005085197-A1 CYCLOBUTENEDIONE GROUPS-CONTAINING COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-15 WO disclosed
WO-2005085275-A1 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE SCHERING CORPORATION (US) 2005-09-15 WO disclosed
WO-2005085242-A1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-09-15 WO disclosed
WO-2005058821-A1 INHIBITORS OF HEPATITIS C VIRUS NS3/NS4A SERINE PROTEASE SCHERING CORPORATION (US) 2005-06-30 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 (10 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-20230279007-A1 Compounds for Improving mRNA Splicing RTCB, RBM17, HNRNPA2B1 CFTR 3284/4885SLC6A2 2539/4885SLC6A4 2654/4885
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 CFTR 433/4885SLC6A2 2734/4885SLC6A4 2296/4885
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA CFTR 1724/4885SLC6A2 4274/4885SLC6A4 4690/4885
US-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases HAVCR2, ENPEP, SERPINB1 CFTR 349/4885SLC6A2 4616/4885SLC6A4 4593/4885
US-20230295166-A1 ATR INHIBITORS AND USES THEREOF ATR, CHEK1, CHEK2 CFTR 3317/4885SLC6A2 4720/4885SLC6A4 4626/4885
US-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 CFTR 313/4885SLC6A2 4742/4885SLC6A4 4745/4885
US-11826351-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK CFTR 2808/4885SLC6A2 4115/4885SLC6A4 4510/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885SLC6A2 347/4885SLC6A4 384/4885
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK CFTR 2808/4885SLC6A2 4115/4885SLC6A4 4510/4885
US-20230373930-A1 AMINOIMIDAZOLE FPR2 AGONISTS FPR2, FPR1, FPR3 CFTR 186/4885SLC6A2 4004/4885SLC6A4 4396/4885

“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.