SCHEMBL165576

SCHEMBL165576

N#Cc1c(N)cccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CUL4A Q13619 1/20 0.43
▸ ADORA2A P29274 5/20 0.40
▸ ADORA1 P30542 5/20 0.40
▸ EEF2K O00418 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ MAP2K2 P36507 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.36
▸ DYRK1A Q13627 2/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ TAS1R2 Q8TE23 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL30628861 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10CUL4A
SCHEMBL1398115 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10ADORA2A
SCHEMBL186269 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10CUL4A
SCHEMBL29267462 0.82 KMT2A (0.39) ALDH1A1KDM4EHPGDHSD17B10CUL4A
Cyanide SCHEMBL28871133 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10CUL4A
SCHEMBL27606196 0.78 LRRK2 (0.34) ALDH1A1KDM4EHPGDHSD17B10CUL4A
SCHEMBL17086513 0.77 CYP3A4 (0.35) ALDH1A1HPGDHSD17B10CUL4ACYP3A4
SCHEMBL6151711 0.77 CYP3A4 (0.35) ALDH1A1HPGDHSD17B10CUL4ACYP3A4
SCHEMBL2432926 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10CUL4A
SCHEMBL19062287 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10CUL4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250223261-A1 PROCESS FOR MAKING A TASTE-MODIFYING COMPOUND FIRMENICH SA (CH) 2025-07-10 — — US claimed
EP-4472950-B1 PROCESS FOR MAKING A TASTE-MODIFYING COMPOUND FIRMENICH & CIE (CH) 2025-06-25 — — EP claimed
CN-119528741-A Preparation method of rituximab key intermediate 济南鼎皓医药科技有限公司 2025-02-28 — — CN claimed
EP-4472950-A1 PROCESS FOR MAKING A TASTE-MODIFYING COMPOUND Firmenich SA (CH) 2024-12-11 — — EP claimed
CN-118459454-B Preparation method of sweet taste regulator 济南悟通生物科技有限公司 2024-10-01 — — CN claimed
CN-118459454-A Preparation method of sweet taste regulator 济南悟通生物科技有限公司 2024-08-09 — — CN claimed
WO-2023209143-A1 PROCESS FOR MAKING A TASTE-MODIFYING COMPOUND FIRMENICH SA (CH) 2023-11-02 — — WO claimed
CN-111548276-B Preparation method of 2,6-dibromoaniline 宁夏大学 2022-12-16 — — CN claimed
CN-111548276-A Preparation method of 2, 6-dibromoaniline 宁夏大学 2020-08-18 — — CN claimed
CN-108610293-B Method for preparing dorvitinib intermediate by adopting microchannel reaction device 南京工业大学 2020-08-04 — — CN claimed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 — — US claimed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 — — EP claimed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 — — US claimed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 — — WO claimed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 — — EP claimed
CN-1049498-A 2,4-diamino-5-replacement-6-(N-replaces benzyl amino) quinazoline derivant is synthetic SHANGHAI INST PHARM INDUSTRY (CN) 1991-02-27 — — CN claimed
US-4504660-A Process for the production of 2,6-diaminobenzonitrile derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1985-03-12 — — US claimed
EP-0053247-B1 PROCESS FOR PREPARATION OF 6-FLUORO-ANTHRANILIC ACID NITRILE OR 6-FLUORO-ANTHRANILIC ACID AND 6-FLUORO-ANTHRANILIC ACID NITRILE BASF Aktiengesellschaft (DE) 1984-01-18 — — EP claimed
US-4359428-A Preparation of fluorinated anthranilic acid and anthranilonitrile BASF AKTIENGESELLSCHAFT (DE) 1982-11-16 — — US claimed
EP-0053247-A1 Process for preparation of 6-fluoro-anthranilic acid nitrile or 6-fluoro-anthranilic acid and 6-fluoro-anthranilic acid nitrile BASF Aktiengesellschaft (DE) 1982-06-09 — — EP 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 (3 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-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 ALDH1A1 2432/4885KDM4E 1401/4885HPGD 1795/4885
US-20250223261-A1 PROCESS FOR MAKING A TASTE-MODIFYING COMPOUND TAS2R4, TAS2R50, TAS2R60 ALDH1A1 412/4885KDM4E 936/4885HPGD 2492/4885
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives PTGS2, PTGES2, PTGES ALDH1A1 483/4885KDM4E 1317/4885HPGD 12/4885

“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.

Send feedback