SCHEMBL1044041

SCHEMBL1044041

C[Si](C)(C)C#Cc1cccnc1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
CYP11B2 P19099 1/20 0.33
CREBBP Q92793 1/20 0.33
GRM5 P41594 2/20 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
SCHEMBL29405768 1.00 KDM4E (0.36) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL23704316 0.80 NAPRT (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL711130 0.78 PTGDR2 (0.40) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL28898087 0.77 GRM5 (0.50) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL510673 0.77 NOS3 (0.45) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL5802468 0.77 TRIM24 (0.37) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL27896450 0.77 KDM4E (0.34) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL16011703 0.74 PLCG1 (0.38) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL26426502 0.74 GRM5 (0.52) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL27896452 0.74 CYP1A2 (0.35) KDM4EMEN1ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114106032-A Preparation method of thiophene monomer and application of thiophene monomer in preparation of polythiophene anticorrosive paint 江西省科学院应用化学研究所 2022-03-01 CN claimed
CN-114106032-B Preparation method of thiophene monomer and application of thiophene monomer in preparation of polythiophene anti-corrosion coating 江西省科学院应用化学研究所 2023-10-03 CN disclosed
WO-2022148459-A1 CLASS OF NOVEL SMAD3 PROTEIN DEGRADERS AND APPLICATION THEREOF 和径医药科技(上海)有限公司 2022-07-14 WO disclosed
CN-114106032-A Preparation method of thiophene monomer and application of thiophene monomer in preparation of polythiophene anticorrosive paint 江西省科学院应用化学研究所 2022-03-01 CN disclosed
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
EP-2270014-A1 Azepine inhibitors of janus kinases Incyte Corporation (US) 2011-01-05 EP disclosed
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
EP-1926735-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES Incyte Corporation (US) 2008-06-04 EP disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
WO-2007038215-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2007-04-05 WO disclosed
US-5869482-A Dipyridio 2,3-b:3',2'-! azepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACUETICALS, INC. (US) 1999-02-09 US disclosed
WO-1998020002-A1 DIPYRIDO[2,3-B:3',2'-F]AZEPINES AND THEIR USE IN THE PREVENTION OR TREATMENT OF HIV INFECTION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1998-05-14 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-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 KDM4E 201/4885MEN1 1281/4885ALDH1A1 3705/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 KDM4E 201/4885MEN1 1281/4885ALDH1A1 3705/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 KDM4E 201/4885MEN1 1281/4885ALDH1A1 3705/4885

“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.