SCHEMBL46317

SCHEMBL46317

Cc1ccc(-n2cccn2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 3/20 0.58
RXFP1 Q9HBX9 1/20 0.58
LMNA P02545 1/20 0.57
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
CHRNA7 P36544 1/20 0.44
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
GRM5 P41594 1/20 0.43
HPGD P15428 2/20 0.42
TNIK Q9UKE5 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41

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
SCHEMBL31516755 1.00 KDM4E (0.58) KDM4EALDH1A1RXFP1LMNAKMT2A
SCHEMBL3462062 0.78 LMNA (0.57) KDM4EALDH1A1RXFP1LMNAKMT2A
SCHEMBL29696397 0.78 LMNA (0.57) KDM4EALDH1A1RXFP1LMNAKMT2A
SCHEMBL4191891 0.78 LMNA (0.57) KDM4EALDH1A1RXFP1LMNAKMT2A
SCHEMBL2067481 0.78 LMNA (0.57) KDM4EALDH1A1RXFP1LMNAKMT2A
SCHEMBL3155897 0.78 LMNA (0.57) KDM4EALDH1A1RXFP1LMNAKMT2A
SCHEMBL2728318 0.78 LMNA (0.57) KDM4EALDH1A1RXFP1LMNAKMT2A
SCHEMBL861501 0.78 LMNA (0.61) KDM4EALDH1A1RXFP1LMNAKMT2A
SCHEMBL22925970 0.78 LMNA (0.57) KDM4EALDH1A1RXFP1LMNAKMT2A
SCHEMBL12680212 0.77 LMNA (0.53) KDM4EALDH1A1RXFP1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734516-B1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INT (DE) 2015-06-17 EP claimed
US-20090149398-A1 6,11-3c-bicyclic 8a-azalide derivatives MERCK SHARP & DOHME CORP. 2009-06-11 US claimed
EP-1711189-A2 6,11-3C-BICYCLIC 8A-AZALIDE DERIVATIVES Merck & Co., Inc. (US) 2006-10-18 EP claimed
WO-2005072204-A2 6,11-3C-BICYCLIC 8A-AZALIDE DERIVATIVES MERCK & CO., INC. (US) 2005-08-11 WO claimed
WO-2024050370-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. (US) 2024-03-07 WO disclosed
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-09-26 US disclosed
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-09-26 US disclosed
WO-2023064584-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2023-04-20 WO disclosed
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2023-02-09 US disclosed
EP-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 EP disclosed
WO-2022034587-A1 Traf2- AND Nck-INTERACTING KINASE (TNIK) INHIBITORS AND USES THEREOF TNIK THERAPEUTICS LTD (IL) 2022-02-17 WO disclosed
US-20210047277-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-02-18 US disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
EP-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
EP-1697371-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1711189-A2 6,11-3C-BICYCLIC 8A-AZALIDE DERIVATIVES Merck & Co., Inc. (US) 2006-10-18 EP disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed
WO-2005072204-A2 6,11-3C-BICYCLIC 8A-AZALIDE DERIVATIVES MERCK & CO., INC. (US) 2005-08-11 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 (5 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-20090149398-A1 6,11-3c-bicyclic 8a-azalide derivatives CYP3A7, SBDS, UGT2B7 KDM4E 342/4885ALDH1A1 1092/4885RXFP1 3257/4885
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof TNNI3K, TNK1, TNIK KDM4E 1710/4885ALDH1A1 4519/4885RXFP1 2762/4885
US-20210047277-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK KDM4E 1710/4885ALDH1A1 4519/4885RXFP1 2762/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KDM4E 1889/4885ALDH1A1 87/4885RXFP1 3886/4885
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK KDM4E 1710/4885ALDH1A1 4519/4885RXFP1 2762/4885

“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.