SCHEMBL4049155

SCHEMBL4049155

CCNC(=O)CN(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
MC4R P32245 1/20 0.44
SCN4A P35499 1/20 0.44
MC3R P41968 1/20 0.44
HTR3A P46098 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
SCN3A Q9NY46 1/20 0.44
HPGD P15428 4/20 0.43
GAA P10253 2/20 0.43
BLM P54132 1/20 0.43
MCL1 Q07820 1/20 0.43
FAAH O00519 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL22880785 0.87 MCL1 (0.42) ALDH1A1MAPTLMNACYP3A4MAPK1
SCHEMBL14499202 0.85 MCL1 (0.43) ALDH1A1MAPTLMNACYP3A4MAPK1
SCHEMBL20315003 0.83 CA12 (0.36) ALDH1A1MAPTLMNACYP3A4MAPK1
SCHEMBL29952413 0.83 MCL1 (0.35) ALDH1A1MAPTLMNACYP3A4MAPK1
SCHEMBL29952074 0.80 MCL1 (0.33) ALDH1A1MAPTLMNACYP3A4MAPK1
SCHEMBL21794636 0.80 MCL1 (0.33) ALDH1A1MAPTLMNACYP3A4MAPK1
SCHEMBL20327119 0.80 MCL1 (0.33) ALDH1A1MAPTLMNACYP3A4MAPK1
SCHEMBL23316908 0.79 MCL1 (0.39) ALDH1A1MAPTLMNACYP3A4MAPK1
SCHEMBL3039287 0.79 ALOX15 (0.42) ALDH1A1MAPTLMNACYP3A4MAPK1
SCHEMBL583342 0.79 ALDH1A1 (0.41) ALDH1A1MAPTLMNACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
EP-4001269-A1 BENZOISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER Amgen Inc. (US) 2022-05-25 EP disclosed
US-11285135-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2022-03-29 US disclosed
EP-3889145-A1 8-CYANO-5-PIPERIDINO-QUINOLINES AS TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 US disclosed
EP-3558955-B1 BENZISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER AMGEN INC (US) 2021-08-11 EP disclosed
US-11053226-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-07-06 US disclosed
WO-2021081212-A1 PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS KRAS G12C AND KRAS G12D INHIBITORS IN THE TREATMENT OF CANCER AMGEN INC. (US) 2021-04-29 WO disclosed
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2021-01-14 US disclosed
US-20120238558-A9 Kinase inhibitors ALLERGAN, INC. 2012-09-20 US disclosed
US-20100256164-A1 PSEUDOBASE BENZO[C]PHENANTRIDINES WITH IMPROVED EFFICACY, STABILITY AND SAFETY MARINUS PHARMACEUTICALS INC., (US) 2010-10-07 US disclosed
US-20090286773-A1 Kinase inhibitors ALLERGAN, INC. 2009-11-19 US disclosed
US-7592349-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-09-22 US disclosed
US-7531550-B2 Pseudobase benzo[c]phenanthridines with improved efficacy, stability, and safety YALE UNIVERSITY (US) 2009-05-12 US disclosed
EP-2032583-A1 NEW CHEMICAL COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2009-03-11 EP disclosed
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20080076781-A1 PSEUDOBASE BENZO[C]PHENANTHRIDINES WITH IMPROVED EFFICACY, STABILITY, AND SAFETY MARINUS PHARMACEUTICALS INC. (US) 2008-03-27 US disclosed
WO-2007144370-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO disclosed
US-7183307-B2 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCROPORATED (US) 2007-02-27 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 (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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2648/4885MAPT 4219/4885LMNA 1762/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ALDH1A1 4162/4885MAPT 4273/4885LMNA 2823/4885
US-11053226-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ALDH1A1 4162/4885MAPT 4273/4885LMNA 2823/4885
US-20090286773-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 ALDH1A1 2605/4885MAPT 1650/4885LMNA 4717/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ALDH1A1 2150/4885MAPT 4468/4885LMNA 2336/4885
US-20120238558-A9 Kinase inhibitors PTK2, MAP3K6, MAP3K20 ALDH1A1 2605/4885MAPT 1650/4885LMNA 4717/4885
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4162/4885MAPT 4273/4885LMNA 2823/4885
US-20100256164-A1 PSEUDOBASE BENZO[C]PHENANTRIDINES WITH IMPROVED EFFICACY, STABILITY AND SAFETY TOP1, TOP2B, TOP2A ALDH1A1 4366/4885MAPT 1532/4885LMNA 1042/4885
US-20080076781-A1 PSEUDOBASE BENZO[C]PHENANTHRIDINES WITH IMPROVED EFFICACY, STABILITY, AND SAFETY TOP1, TOP2B, TOP2A ALDH1A1 4309/4885MAPT 2163/4885LMNA 1005/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885MAPT 4217/4885LMNA 710/4885

“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.