SCHEMBL10149928

SCHEMBL10149928

C1CCC2CNCCNC2CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.32
HTR2C P28335 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 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
SCHEMBL17733612 1.00 EPAS1 (0.32) EPAS1HTR2CALDH1A1MAPK1
SCHEMBL943033 0.98 EPAS1 (0.33) EPAS1HTR2CALDH1A1
SCHEMBL6512104 0.93 HTR2C (0.35) HTR2C
SCHEMBL20256032 0.89 EPAS1 (0.35) EPAS1HTR2CALDH1A1
SCHEMBL20121932 0.85 CXCR4 (0.31) EPAS1ALDH1A1
SCHEMBL5680966 0.84 EPAS1 (0.35) EPAS1
SCHEMBL2931996 0.84 EPAS1 (0.33) EPAS1ALDH1A1
SCHEMBL28119029 0.84 EPAS1 (0.33) EPAS1ALDH1A1
SCHEMBL13351747 0.84 MBTD1 (0.36) EPAS1
SCHEMBL4129266 0.84 MBTD1 (0.36) EPAS1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023030388-A1 5-FLUORO-7H-PYRROLO[2,3-D] PYRIMIDINES COMPOUND AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2023-03-09 WO disclosed
US-8759340-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-06-24 US disclosed
US-8722667-B2 Compositions and methods for inhibiting the proliferation of cells THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-05-13 US disclosed
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 US disclosed
US-20130190300-A1 COMPOSITIONS AND METHODS FOR INHIBITING THE PROLIFERATION OF CELLS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-07-25 US disclosed
EP-2604269-A1 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-06-19 EP disclosed
US-8461153-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-06-11 US disclosed
EP-2422788-A2 Benzodiazepines and compositions and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-02-29 EP disclosed
EP-1398033-B1 Use of benzodiazepines for treating autoimmune diseases, inflammations, neoplasies, viral infections and atherosclerosis UNIV MICHIGAN (US) 2009-06-17 EP disclosed
WO-2007053725-A2 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-10 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 (2 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-20130190300-A1 COMPOSITIONS AND METHODS FOR INHIBITING THE PROLIFERATION OF CELLS BAX, BCL2, MKI67 EPAS1 1695/4885HTR2C 1374/4885ALDH1A1 2177/4885
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB EPAS1 1886/4885HTR2C 234/4885ALDH1A1 373/4885

“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.