SCHEMBL22129397

SCHEMBL22129397

Cc1ccc(Br)nc1C#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.34
ABL1 P00519 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
GRK5 P34947 1/20 0.34
KDR P35968 1/20 0.34
MAP2K2 P36507 1/20 0.34
CDK8 P49336 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
PRKX P51817 1/20 0.34
NEK2 P51955 1/20 0.34
LIMK1 P53667 1/20 0.34
MAP2K1 Q02750 1/20 0.34
PRKCQ Q04759 1/20 0.34
MAP4K2 Q12851 1/20 0.34
DYRK1A Q13627 1/20 0.34
IKBKE Q14164 1/20 0.34
NTRK3 Q16288 1/20 0.34

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
SCHEMBL31395201 1.00 CHEK1 (0.34) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL9426003 0.77 USP30 (0.39) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL929272 0.77 KMT2A (0.42) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL19715553 0.77 MBOAT4 (0.35) USP8USP7ERBB2
SCHEMBL21928126 0.76 NQO1 (0.39) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL23595059 0.75 RECQL (0.44) USP8KMT2ATSHRUSP7RECQL
SCHEMBL17399657 0.74 NOS3 (0.52) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL2946216 0.74 NQO2 (0.34) MEN1KMT2AUSP7ERBB2
SCHEMBL3719102 0.74 KDM4E (0.37) MAPK14USP8ALDH1A1KMT2ALMNA
SCHEMBL24417209 0.74 USP8 (0.36) CHEK1ABL1PDGFRBPDGFRAFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558498-A1 NOVEL IMIDAZOPYRIDINE AND PYRAZOLOPYRIDINE SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-05-28 EP disclosed
WO-2024017857-A1 NOVEL IMIDAZOPYRIDINE AND PYRAZOLOPYRIDINE SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-01-25 WO disclosed
CN-111333626-B Phenyl pyrrolidine compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-18 CN disclosed
WO-2022095965-A1 TETRAZOLE DERIVATIVE, PREPARATION FOR TETRAZOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING TETRAZOLE DERIVATIVE, AND APPLICATION OF TETRAZOLE DERIVATIVE 浙江大学 2022-05-12 WO disclosed
US-20220056014-A1 PHENYLPYRROLIDINE COMPOUND AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2022-02-24 US disclosed
EP-3901146-A1 PHENYLPYRROLIDINE COMPOUND AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2021-10-27 EP disclosed
EP-3901146-A1 PHENYLPYRROLIDINE COMPOUND AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2021-10-27 EP disclosed
CN-111333626-A Phenyl pyrrolidine compounds and uses thereof 湖北生物医药产业技术研究院有限公司 2020-06-26 CN disclosed
WO-2020125627-A1 PHENYLPYRROLIDINE COMPOUND AND USE THEREOF 湖北生物医药产业技术研究院有限公司 2020-06-25 WO disclosed
WO-2020125627-A1 PHENYLPYRROLIDINE COMPOUND AND USE THEREOF 湖北生物医药产业技术研究院有限公司 2020-06-25 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 (1 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-20220056014-A1 PHENYLPYRROLIDINE COMPOUND AND USE THEREOF PAH, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AVPR2 CHEK1 2009/4885ABL1 3452/4885PDGFRB 3078/4885

“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.