SCHEMBL18512971

SCHEMBL18512971

Nc1nccnc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NOS3 P29474 4/20 0.37
NOS2 P35228 4/20 0.37
TLR7 Q9NYK1 3/20 0.36
CA2 P00918 1/20 0.33
CHKA P35790 1/20 0.33
POLB P06746 1/20 0.32
NUDT1 P36639 1/20 0.31
NOS1 P29475 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
Hydrochloric Acid SCHEMBL31336857 0.97 HTT (0.37) HTTHSD17B10NOS3NOS2TLR7
SCHEMBL28372517 0.80 HTT (0.35) HTTHSD17B10NOS3NOS2
SCHEMBL29350976 0.80 HTT (0.35) HTTHSD17B10NOS3NOS2
SCHEMBL30154882 0.74 NOS3 (0.36) NOS3NOS2NUDT1NOS1
SCHEMBL4569228 0.74 NOS3 (0.36) NOS3NOS2NUDT1NOS1
SCHEMBL16992858 0.72 HTT (0.49) HTTHSD17B10NOS3NOS2POLB
Hydrochloric Acid SCHEMBL16992973 0.70 HTT (0.47) HTTHSD17B10NOS3NOS2POLB
SCHEMBL29985108 0.69
SCHEMBL1024624 0.69
SCHEMBL670030 0.69 HTT (0.37) HTTCA2CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688155-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS Bial-Portela & CA, S.A. (PT) 2026-02-11 EP claimed
WO-2025125665-A1 FURTHER SUBSTITUTED IMIDAZOLES AS INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2025-06-19 WO claimed
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO claimed
EP-4028393-A1 3, 5-DISUBSTITUTED PYRAZOLE COMPOUNDS AS KINASE INHIBITORS AND USES THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-07-20 EP claimed
WO-2021043208-A1 3, 5-DISUBSTITUTED PYRAZOLE COMPOUNDS AS KINASE INHIBITORS AND USES THEREOF IMPACT THERAPEUTICS, INC (CN) 2021-03-11 WO claimed
US-20250388553-A1 AMINOPYRAZINE DERIVATIVES AS PI3K-y INHIBITORS INCYTE CORP (US) 2025-12-25 US disclosed
US-12503467-B2 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors IDEAYA BIOSCIENCES, INC. (US) 2025-12-23 US disclosed
US-20250313550-A1 AMINOPYRAZINE DIOL COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2025-10-09 US disclosed
US-12421197-B2 Aminopyrazine derivatives as PI3K-γ inhibitors INCYTE CORPORATION (US) 2025-09-23 US disclosed
US-12365668-B2 Aminopyrazine diol compounds as PI3K-y inhibitors INCYTE CORPORATION (US) 2025-07-22 US disclosed
CN-115925697-B Small molecule immunoregulation inhibitor and pharmaceutical composition and application thereof 昆药集团股份有限公司 2025-05-09 CN disclosed
US-12281101-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2025-04-22 US disclosed
WO-2019057724-A1 PYRAZINE-4CARBAMATE OR -UREA DERIVATIVES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2019-03-28 WO disclosed
EP-3317269-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2018-05-09 EP disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
US-9776967-B2 Carboxamide derivatives as pesticidal compounds BAYER ANIMAL HEALTH GMBH (DE) 2017-10-03 US disclosed
US-20170044104-A1 NEW PESTICIDAL COMPOUNDS AND USES BAYER ANIMAL HEALTH GMBH (DE) 2017-02-16 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
CN-103946221-B heterocyclic compounds for the treatment of cystic fibrosis 诺华股份有限公司 2016-08-03 CN 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-12421197-B2 Aminopyrazine derivatives as PI3K-γ inhibitors PIK3R5, PIK3CD, PIK3CG HTT 1262/4885HSD17B10 2423/4885NOS3 1333/4885
US-12281101-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 HTT 4818/4885HSD17B10 942/4885NOS3 3864/4885
US-20250388553-A1 AMINOPYRAZINE DERIVATIVES AS PI3K-y INHIBITORS PIK3R5, PIK3R1, PIK3C2B HTT 623/4885HSD17B10 1800/4885NOS3 1396/4885
US-12365668-B2 Aminopyrazine diol compounds as PI3K-y inhibitors PIK3CD, PIK3R5, PIK3CG HTT 1840/4885HSD17B10 2011/4885NOS3 1517/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 HTT 4818/4885HSD17B10 942/4885NOS3 3864/4885
US-20170044104-A1 NEW PESTICIDAL COMPOUNDS AND USES ACHE, DDT, DNPH1 HTT 238/4885HSD17B10 3166/4885NOS3 3231/4885
US-20250313550-A1 AMINOPYRAZINE DIOL COMPOUNDS AS PI3K-y INHIBITORS PIK3CD, PIK3R5, PIK3CG HTT 1840/4885HSD17B10 2011/4885NOS3 1517/4885
US-12503467-B2 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors MAT2B, MAT2A, MAT1A HTT 4088/4885HSD17B10 3051/4885NOS3 1325/4885

“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.