SCHEMBL1730719

SCHEMBL1730719

CC1(NC(=O)OC(C)(C)C)CCC(O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 2/20 0.39
RORC P51449 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
BTK Q06187 1/20 0.36
APLNR P35414 1/20 0.35
EPHX1 P07099 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CTSK P43235 2/20 0.34
HCRTR2 O43614 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CTSL P07711 1/20 0.33

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
SCHEMBL15115795 1.00 KMT2A (0.42) KMT2AMEN1MAPK1GAARORC
SCHEMBL26342483 0.86 MEN1 (0.42) KMT2AMEN1MAPK1GAARORC
SCHEMBL2087734 0.85 RORC (0.43) KMT2AMEN1MAPK1GAARORC
SCHEMBL10127311 0.85 MEN1 (0.41) KMT2AMEN1MAPK1GAARORC
SCHEMBL13485258 0.85 MEN1 (0.41) KMT2AMEN1MAPK1GAARORC
SCHEMBL13485263 0.85 MEN1 (0.41) KMT2AMEN1MAPK1GAARORC
SCHEMBL23299938 0.83 MEN1 (0.40) KMT2AMEN1MAPK1GAARORC
SCHEMBL31065777 0.83 GAA (0.40) KMT2AMEN1MAPK1GAARORC
Hydrochloric Acid SCHEMBL27241795 0.83 MEN1 (0.40) KMT2AMEN1MAPK1GAARORC
SCHEMBL31065786 0.83 GAA (0.40) KMT2AMEN1MAPK1GAARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665733-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 Bristol-Myers Squibb Company (US) 2025-12-24 EP disclosed
US-12312336-B2 Inhibitors of RAF kinases Pierre Fabre Médicament (FR) 2025-05-27 US disclosed
WO-2024173323-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-22 WO disclosed
US-20240246960-A1 7-Morpholino-L,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2024-07-25 US disclosed
US-20240239790-A1 7-Morpholino-1,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor LIFEARC (GB) 2024-07-18 US disclosed
EP-4305032-A1 7-MORPHOLINO-1,6-NAPHTHYRIDIN-5-YL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF USEFUL AS DNA-PK INHIBITOR Admare Therapeutics Society (CA) 2024-01-17 EP disclosed
EP-4305031-A1 7-MORPHOLINO-L,6-NAPHTHYRIDIN-5-YL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF USEFUL AS DNA-PK INHIBITOR Admare Therapeutics Society (CA) 2024-01-17 EP disclosed
US-20230365509-A1 BENZO[H]QUINAZOLIN-4-AMINE AND THIENO[3,2-H]QUINAZOLIN-4-AMINE DERIVATIVES FOR THE TREATMENT OF CANCER Redona Therapeutics, Inc. 2023-11-16 US disclosed
WO-2022187965-A1 7-MORPHOLINO-1,6-NAPHTHYRIDIN-5-YL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF USEFUL AS DNA-PK INHIBITOR adMare Therapeutics Society (CA) 2022-09-15 WO disclosed
WO-2022187964-A1 7-MORPHOLINO-L,6-NAPHTHYRIDIN-5-YL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF USEFUL AS DNA-PK INHIBITOR adMare Therapeutics Society (CA) 2022-09-15 WO disclosed
WO-2013106535-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2013-07-18 WO disclosed
EP-1569937-B1 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL MYERS SQUIBB CO (US) 2011-11-23 EP disclosed
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE, S.A. (CH) 2011-11-17 US disclosed
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE, S.A. (CH) 2011-11-17 US disclosed
WO-2011128455-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE S.A. (CH) 2011-10-20 WO disclosed
US-7148220-B2 C-6 modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-12 US disclosed
US-20050222153-A1 C-6 modified indazolylpyrrolotriazines VITE GREGORY D 2005-10-06 US disclosed
US-6916815-B2 C-6 modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-12 US disclosed
WO-2004099185-A1 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS DPP-IV INHIBITORS FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-11-18 WO disclosed
US-20040142931-A1 C-6 modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 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 (7 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-20240239790-A1 7-Morpholino-1,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor DCK, ERCC2, POLK KMT2A 1206/4885MEN1 4311/4885MAPK1 1394/4885
US-20240246960-A1 7-Morpholino-L,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor DCK, ERCC2, POLK KMT2A 1110/4885MEN1 4454/4885MAPK1 1643/4885
US-20230365509-A1 BENZO[H]QUINAZOLIN-4-AMINE AND THIENO[3,2-H]QUINAZOLIN-4-AMINE DERIVATIVES FOR THE TREATMENT OF CANCER H1-10, H1-3, H1-0 KMT2A 438/4885MEN1 550/4885MAPK1 2322/4885
US-20050222153-A1 C-6 modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR KMT2A 2678/4885MEN1 2849/4885MAPK1 49/4885
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 KMT2A 4769/4885MEN1 3013/4885MAPK1 3097/4885
US-12312336-B2 Inhibitors of RAF kinases BRAF, RAF1, ARAF KMT2A 1631/4885MEN1 2171/4885MAPK1 268/4885
US-20040142931-A1 C-6 modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR KMT2A 2696/4885MEN1 2283/4885MAPK1 41/4885

“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.