SCHEMBL503839

SCHEMBL503839

C[Si](C)(C)C#Cc1cncc(N)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
DDO Q99489 1/20 0.34
GRM5 P41594 2/20 0.33
CYP2A6 P11509 1/20 0.31

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
SCHEMBL22531723 0.85 GRM5 (0.38) GRM5CYP2A6
SCHEMBL31014678 0.82 GRM5 (0.34) GRM5CYP2A6
SCHEMBL9956785 0.79 GRM5 (0.50) GRM5CYP2A6
SCHEMBL3664236 0.77 KDM4E (0.33) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL12938274 0.76 GRM5 (0.39) GRM5
SCHEMBL503406 0.76 GRM5 (0.33) GRM5CYP2A6
SCHEMBL29434830 0.76 GRM5 (0.40) GRM5
SCHEMBL1476913 0.76 GRM5 (0.40) GRM5
SCHEMBL1476678 0.76 RAF1 (0.38) GRM5
SCHEMBL1477377 0.76 GRM5 (0.49) KDM4EGRM5CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360104-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATED DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2024-10-31 US disclosed
EP-4330253-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATED DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2024-03-06 EP disclosed
WO-2022232088-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATED DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-11-03 WO disclosed
EP-3127900-B1 ALKYNYL INDAZOLE DERIVATIVE AND USE THEREOF SENJU PHARMA CO (JP) 2017-10-18 EP disclosed
EP-2668179-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2017-08-16 EP disclosed
EP-2668179-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2017-08-16 EP disclosed
US-9617222-B1 Alkynyl indazole derivative and use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2017-04-11 US disclosed
US-9617222-B1 Alkynyl indazole derivative and use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2017-04-11 US disclosed
US-20170096400-A1 ALKYNYL INDAZOLE DERIVATIVE AND USE THEREOF SENJU PHARMACEUTICAL CO., LTD. (JP) 2017-04-06 US disclosed
US-20170096400-A1 ALKYNYL INDAZOLE DERIVATIVE AND USE THEREOF SENJU PHARMACEUTICAL CO., LTD. (JP) 2017-04-06 US disclosed
WO-2011092197-A1 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
WO-2011092198-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
EP-2323992-A1 5-ALKYNYL-PYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
US-20110098275-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
US-20110098275-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
WO-2010122069-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO disclosed
WO-2010012740-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 WO disclosed
EP-2146716-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2010-01-27 EP disclosed
WO-2008131227-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 WO disclosed
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-23 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 (4 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-20240360104-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATED DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD4, TEAD1, TEAD2 KDM4E 2554/4885MEN1 2148/4885ALDH1A1 2261/4885
US-20110098275-A1 5-ALKYNYL-PYRIDINES MKI67, KIT, CCNA1 KDM4E 494/4885MEN1 684/4885ALDH1A1 169/4885
US-20170096400-A1 ALKYNYL INDAZOLE DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 KDM4E 3477/4885MEN1 4422/4885ALDH1A1 551/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF KDM4E 1040/4885MEN1 223/4885ALDH1A1 2292/4885

“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.