SCHEMBL20656340

SCHEMBL20656340

Cn1ccc2c(Br)cncc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFATC1 O95644 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
PIK3CB P42338 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
DHFR P00374 1/20 0.33
ATR Q13535 1/20 0.33
NQO2 P16083 1/20 0.32
HSD11B1 P28845 2/20 0.31
RHEB Q15382 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
SCHEMBL30702049 1.00 NFATC1 (0.36) NFATC1GSK3BDYRK1APIK3CBMAPT
SCHEMBL12670777 0.78 NFATC1 (0.37) NFATC1GSK3BDYRK1APIK3CBMAPT
SCHEMBL21893814 0.76 DHFR (0.44) NFATC1GSK3BDYRK1APIK3CBMAPT
SCHEMBL23937723 0.76 NFATC1 (0.36) NFATC1GSK3BDYRK1APIK3CBMAPT
SCHEMBL29683313 0.76 BRD9 (0.40) MAPT
SCHEMBL23912425 0.76
SCHEMBL22084634 0.74
SCHEMBL15164815 0.73 RHEB (0.39) NFATC1GSK3BDYRK1APIK3CBMAPT
SCHEMBL14616909 0.73 CCR4 (0.37) NFATC1GSK3BDYRK1APIK3CBMAPT
SCHEMBL16743120 0.73 NQO2 (0.34) NFATC1GSK3BDYRK1APIK3CBMAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514794-B1 FGFR2 INHIBITOR COMPOUNDS LILLY CO ELI (US) 2026-03-25 EP disclosed
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
US-20250263409-A1 FGFR2 INHIBITOR COMPOUNDS ELI LILLY AND COMPANY 2025-08-21 US disclosed
EP-4558492-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 Therapeutics, Inc. (US) 2025-05-28 EP disclosed
EP-4514794-A1 FGFR2 INHIBITOR COMPOUNDS Eli Lilly and Company (US) 2025-03-05 EP disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 US disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 US disclosed
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-04-11 US disclosed
US-20240101544-A1 INHIBITORS OF QPCTL AND QPCT 858 THERAPEUTICS, INC. 2024-03-28 US disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 WO disclosed
WO-2024020517-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
WO-2024020517-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
CN-117120439-A FGFR3 inhibitor compounds 伊莱利利公司 2023-11-24 CN disclosed
WO-2023212535-A1 FGFR2 INHIBITOR COMPOUNDS ELI LILLY AND COMPANY (US) 2023-11-02 WO disclosed
US-10392376-B2 Heterocyclic inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-08-27 US disclosed
US-20190016713-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ARTIOS PHARMA LIMITED (GB) 2019-01-17 US 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 (9 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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE NFATC1 3976/4885GSK3B 3553/4885DYRK1A 4538/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE NFATC1 3976/4885GSK3B 3553/4885DYRK1A 4538/4885
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE NFATC1 3976/4885GSK3B 3553/4885DYRK1A 4538/4885
US-20250263409-A1 FGFR2 INHIBITOR COMPOUNDS FGFR2, FGFR1, FGFR3 NFATC1 1945/4885GSK3B 818/4885DYRK1A 677/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE NFATC1 3976/4885GSK3B 3553/4885DYRK1A 4538/4885
US-10392376-B2 Heterocyclic inhibitors of ATR kinase ATR, CHEK1, CHEK2 NFATC1 2107/4885GSK3B 722/4885DYRK1A 1614/4885
US-20240101544-A1 INHIBITORS OF QPCTL AND QPCT ACAT1, ACAT2, LCAT NFATC1 1885/4885GSK3B 756/4885DYRK1A 4430/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE NFATC1 3976/4885GSK3B 3553/4885DYRK1A 4538/4885
US-20190016713-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 NFATC1 2107/4885GSK3B 722/4885DYRK1A 1614/4885

“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.