SCHEMBL28585

SCHEMBL28585

FC(F)(F)c1c[c]cnc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
CYP19A1 P11511 2/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP3A5 P20815 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
SCHEMBL17103360 0.82
SCHEMBL29116231 0.82
SCHEMBL602192 0.82
SCHEMBL17103255 0.79
SCHEMBL10845996 0.77 AKT1 (0.31)
SCHEMBL2249681 0.76 KIF11 (0.32) KIF11
SCHEMBL25361841 0.76 KIF11 (0.53) KIF11CYP11B1CYP11B2
SCHEMBL2067128 0.70 CYP19A1 (0.34) CYP19A1
SCHEMBL2068892 0.69
SCHEMBL27655 0.67

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 1021 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118265702-A Microbiocidal isonicotinamide derivatives 先正达农作物保护股份公司 2024-06-28 CN claimed
CN-113874353-B Microbiocidal derivatives 先正达农作物保护股份公司 2024-06-14 CN claimed
WO-2024118810-A1 CYCLIC PYRAZOLE DIAMIDE IRE1/XBP1S ACTIVATORS PROTEGO BIOPHARMA, INC. (US) 2024-06-06 WO claimed
EP-4373825-A1 NITRILE SUMO INHIBITORS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2024-05-29 EP claimed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN claimed
EP-4041721-B1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2024-03-06 EP claimed
WO-2023227734-A1 FLAVIVIRUS INHIBITORS IRBM S.P.A. (IT) 2023-11-30 WO claimed
EP-4282862-A1 FLAVIVIRUS INHIBITORS IRBM S.P.A. (IT) 2023-11-29 EP claimed
EP-3784661-B1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2023-11-22 EP claimed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US claimed
US-20030220375-A1 N-biphenyl(substituted methyl) aminocycloalkane-carboxamide derivatives MERCK SHARP & DOHME LLC 2003-11-27 US claimed
WO-2003066577-A1 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES WITH A SUBSTIITUENT ON THE METHYL USEFUL AS BRADYKININ ANTAGONISTS MERCK & CO., INC. (US) 2003-08-14 WO claimed
EP-1066257-A2 HETEROCYLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE Sugen, Inc. (US) 2001-01-10 EP claimed
CN-1277604-A Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors NEUROSEARCH AS (DK) 2000-12-20 CN claimed
EP-1033914-A1 BICYCLIC AMINES AND THEIR USE AS INSECTICIDES ZENECA LIMITED (GB) 2000-09-13 EP claimed
EP-1027336-A1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2000-08-16 EP claimed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO claimed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 WO claimed
WO-1999026478-A1 BICYCLIC AMINES AND THEIR USE AS INSECTICIDES ZENECA LIMITED (GB) 1999-06-03 WO claimed
WO-1999021834-A1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 1999-05-06 WO claimed

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-20030220375-A1 N-biphenyl(substituted methyl) aminocycloalkane-carboxamide derivatives BDKRB1, BDKRB2, CNR2 KIF11 4330/4885CYP19A1 687/4885CYP11B1 1126/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP KIF11 2411/4885CYP19A1 425/4885CYP11B1 1168/4885

“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.