SCHEMBL18366276

SCHEMBL18366276

FC(F)(F)Cn1ncc2cnc(Br)cc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.34
CYP1A2 P05177 1/20 0.34
NT5E P21589 5/20 0.33
KMO O15229 1/20 0.33
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
RIPK1 Q13546 1/20 0.31
PIM1 P11309 2/20 0.30
PIM3 Q86V86 2/20 0.30
PIM2 Q9P1W9 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
SCHEMBL29989199 0.87 CYP17A1 (0.34) CYP17A1CYP1A2KMOHTR2AHTR2C
SCHEMBL24851750 0.81 PDPK1 (0.34) CYP17A1CYP1A2NT5EHTR2AHTR2C
SCHEMBL24851097 0.81 HTR2A (0.35) CYP17A1CYP1A2NT5EKMOHTR2A
SCHEMBL23994190 0.77 KMO (0.55) CYP17A1CYP1A2KMOHTR2AHTR2C
SCHEMBL30701694 0.77 HTR2A (0.42) NT5EKMOHTR2AHTR2C
SCHEMBL30224584 0.77 NT5E (0.35) NT5E
SCHEMBL23994009 0.76 HTR2A (0.33) CYP17A1CYP1A2KMOHTR2AHTR2C
SCHEMBL30224915 0.76 HTR2A (0.33) CYP17A1CYP1A2KMOHTR2AHTR2C
SCHEMBL22888554 0.76 RIPK1 (0.40) NT5EKMOHTR2AHTR2CRIPK1
SCHEMBL23995512 0.76 NT5E (0.36) NT5ERIPK1PIM1PIM3PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250270174-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2025-08-28 US disclosed
EP-4547657-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. (US) 2025-05-07 EP disclosed
US-12281101-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2025-04-22 US disclosed
US-12110294-B2 CD73 compounds GILEAD SCIENCES, INC. (US) 2024-10-08 US disclosed
US-20240279186-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2024-08-22 US disclosed
US-20240116928-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2024-04-11 US disclosed
EP-3760625-B1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES HOFFMANN LA ROCHE (CH) 2024-03-27 EP disclosed
US-11919869-B2 CD73 compounds GILEAD SCIENCES, INC. (US) 2024-03-05 US disclosed
US-20240043427-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2024-02-08 US disclosed
WO-2024006929-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-01-04 WO disclosed
CN-107849023-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-03-23 CN disclosed
EP-3760625-A1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2021-01-06 EP disclosed
EP-3760625-A1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2021-01-06 EP disclosed
CN-111269221-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2020-06-12 CN disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
WO-2017004500-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 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 (8 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-12281101-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 CYP17A1 59/4885CYP1A2 61/4885NT5E 3622/4885
US-20240043427-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E CYP17A1 4392/4885CYP1A2 3166/4885NT5E 3/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E CYP17A1 3414/4885CYP1A2 2027/4885NT5E 3/4885
US-20250270174-A1 CD73 COMPOUNDS ENTPD5, NT5E, ENTPD1 CYP17A1 1658/4885CYP1A2 1087/4885NT5E 2/4885
US-11919869-B2 CD73 compounds ENTPD5, NT5E, ENTPD1 CYP17A1 1658/4885CYP1A2 1087/4885NT5E 2/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 CYP17A1 59/4885CYP1A2 61/4885NT5E 3622/4885
US-20240116928-A1 CD73 COMPOUNDS ENTPD5, NT5E, ENTPD1 CYP17A1 1594/4885CYP1A2 891/4885NT5E 2/4885
US-20240279186-A1 CD73 COMPOUNDS ENTPD5, NT5E, ENTPD1 CYP17A1 1658/4885CYP1A2 1087/4885NT5E 2/4885

“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.