SCHEMBL601591

SCHEMBL601591

FC(F)(F)Oc1c[c]ncc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
GPR3 P46089 1/20 0.33
MAPT P10636 1/20 0.32
EPHX2 P34913 1/20 0.32
SCN5A Q14524 4/20 0.32
LMNA P02545 2/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
SLC6A2 P23975 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
SCHEMBL28327229 0.80 NISCH (0.44) NISCHNPC1RAB9AMAPTSCN5A
SCHEMBL9480003 0.79 RIPK1 (0.30)
SCHEMBL9479947 0.73 KIF11 (0.32)
SCHEMBL10769227 0.71
SCHEMBL294190 0.71
SCHEMBL2564426 0.71 DRD1 (0.36) NPC1RAB9AMAPTSCN5ALMNA
SCHEMBL19833847 0.70 ABL1 (0.45) NISCHNPC1RAB9AGPR3MAPT
SCHEMBL3048497 0.68 APP (0.40) MAPT
SCHEMBL9956819 0.67 GPR3 (0.36) NISCHGPR3MAPTEPHX2TP53
SCHEMBL319976 0.67 NOS3 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US claimed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US claimed
EP-4185564-A1 TRICYCLIC HETEROCYCLES Merck Patent GmbH (DE) 2023-05-31 EP claimed
WO-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 WO claimed
EP-4146652-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS Merck Patent GmbH (DE) 2023-03-15 EP claimed
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 WO claimed
US-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 US claimed
EP-2375898-B1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-09-16 EP claimed
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 US claimed
CN-103517710-A Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC 2014-01-15 CN claimed
EP-2672967-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2013-12-18 EP claimed
WO-2012109075-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2012-08-16 WO claimed
EP-4334319-A1 2,8-DIHYDROPYRAZOLO[3,4-B]INDOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Merck Patent GmbH (DE) 2024-03-13 EP disclosed
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2023-09-07 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
EP-2177519-A1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT Nippon Soda Co., Ltd. (JP) 2010-04-21 EP disclosed
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US disclosed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP 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 (5 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-20180243298-A1 TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 NISCH 2344/4885NPC1 1133/4885RAB9A 3142/4885
US-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 NISCH 4392/4885NPC1 2281/4885RAB9A 1789/4885
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 NISCH 2373/4885NPC1 2442/4885RAB9A 1605/4885
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 NISCH 2373/4885NPC1 2442/4885RAB9A 1605/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP NISCH 3789/4885NPC1 2291/4885RAB9A 1456/4885

“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.