SCHEMBL422904

SCHEMBL422904

Cc1c(F)cccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
NISCH Q9Y2I1 1/20 0.41
BCAT1 P54687 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AR P10275 4/20 0.38
TRPV4 Q9HBA0 2/20 0.38
ACHE P22303 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
NOTUM Q6P988 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CUL4A Q13619 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
EGLN2 Q96KS0 1/20 0.35

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
SCHEMBL31021254 1.00 TSHR (0.48) TSHRNISCHBCAT1TDP1L3MBTL1
SCHEMBL819145 0.83 TSHR (0.59) TSHRNISCHARESR2CA1
SCHEMBL2693449 0.79 AR (0.47) TSHRTDP1L3MBTL1ARTRPV4
SCHEMBL16952233 0.77 ACHE (0.37) ACHEESR1ESR2
SCHEMBL97028 0.77 CYP3A4 (0.40) ACHEESR1ESR2
SCHEMBL935878 0.77 ACHE (0.37) ACHEESR1ESR2
SCHEMBL158537 0.76 BCAT1 (0.49) TSHRBCAT1TRPV4NOTUMCA1
SCHEMBL29941499 0.76 TSHR (0.65) TSHRNISCHTDP1L3MBTL1AR
SCHEMBL30443847 0.76 BCAT1 (0.49) TSHRBCAT1TRPV4NOTUMCA1
SCHEMBL102574 0.76 TSHR (0.65) TSHRNISCHTDP1L3MBTL1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO claimed
CN-1221407-A Aminoisoquinolines and aminothienopyridine derivatives and their use as anti-inflammatory agents ASTRA PHARMA PROD (GB) 1999-06-30 CN claimed
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP claimed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO claimed
US-20260132112-A1 COMPOUNDS CTXT PTY LTD (AU) 2026-05-14 US disclosed
EP-4077318-B1 BENZIMIDAZOLE DIMERS AS MODULATORS OF STING CTXT PTY LTD (AU) 2025-10-15 EP disclosed
US-12415785-B2 Compound modulators of sting CTXT PTY LTD (AU) 2025-09-16 US disclosed
CN-115380030-B N-heteroarylalkyl-2- (heterocyclyl and heterocyclylmethyl) acetamide derivatives as SSTR4 agonists 武田药品工业株式会社 2025-05-16 CN disclosed
CN-114981265-B Compounds of formula (I) CTXT私人有限公司 2025-01-03 CN disclosed
WO-2024151638-A2 COMPOUNDS FOR FGFRS INHIBITORS COGENT BIOSCIENCES, INC. (US) 2024-07-18 WO disclosed
EP-3782996-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-04-10 EP disclosed
US-6162942-A Method for producing aromatic nitriles BAYER AKTIENGESELLSCHAFT (DE) 2000-12-19 US disclosed
US-6063789-A Aminoisoquinolines and aminotheinopyridine derivatives and their use as anti-inflammatory agents ASTRA PHARMACEUTICALS, LTD. (GB) 2000-05-16 US disclosed
EP-0968177-A1 METHOD FOR PRODUCING AROMATIC NITRILES Bayer Aktiengesellschaft (DE) 2000-01-05 EP disclosed
CN-1221407-A Aminoisoquinolines and aminothienopyridine derivatives and their use as anti-inflammatory agents ASTRA PHARMA PROD (GB) 1999-06-30 CN disclosed
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP disclosed
WO-1998037058-A1 METHOD FOR PRODUCING AROMATIC NITRILES BAYER AKTIENGESELLSCHAFT (DE) 1998-08-27 WO disclosed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 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-12415785-B2 Compound modulators of sting STING1, IRF3, MAVS TSHR 4301/4885NISCH 4843/4885BCAT1 4312/4885
US-20260132112-A1 COMPOUNDS STING1, IRF3, CGAS TSHR 1389/4885NISCH 4613/4885BCAT1 1415/4885

“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.