SCHEMBL22972017

SCHEMBL22972017

NC(=O)c1cc(F)nc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 6/20 0.45
▸ PTPN11 Q06124 2/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LCK P06239 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HPGDS O60760 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ F7 P08709 1/20 0.35
▸ F3 P13726 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
SCHEMBL2857162 0.77 TSHR (0.54) PTPN11SMN1; SMN2LCKTSHRMAPT
SCHEMBL2859980 0.75 ALDH1A1 (0.33) TSHR
SCHEMBL813450 0.74 PARP1 (0.53) PARP1CYP3A4SMN1; SMN2LCKTSHR
SCHEMBL7077548 0.74 PARP1 (0.60) PARP1PTPN11CYP3A4SMN1; SMN2TSHR
SCHEMBL259315 0.74 CES2 (0.62) PARP1PTPN11CYP3A4SMN1; SMN2TSHR
SCHEMBL2996754 0.73 PARP1 (0.48) PARP1MAPTF7F3SARM1
SCHEMBL9506862 0.72 LCK (0.45) PARP1PTPN11CYP3A4SMN1; SMN2LCK
SCHEMBL1799276 0.72 CES2 (0.64) PARP1PTPN11CYP3A4SMN1; SMN2TSHR
SCHEMBL2088488 0.72 SMN1; SMN2 (0.46) PARP1CYP3A4SMN1; SMN2LCKTSHR
SCHEMBL31601062 0.70 DHODH (0.48) PARP1CYP3A4SMN1; SMN2LCKTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4010330-B1 QUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS HIRUNDO BIOSCIENCES (BE) 2025-10-01 — — EP disclosed
US-20220388979-A1 QUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2022-12-08 — — US disclosed
US-20220388979-A1 QUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2022-12-08 — — US disclosed
EP-4010330-A1 QUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. Pharma (BE) 2022-06-15 — — EP disclosed
CN-114391009-A Quinoline derivatives as protein kinase inhibitors BCI制药公司 2022-04-22 — — CN disclosed
WO-2021023888-A1 ISOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2021-02-11 — — WO disclosed
WO-2021023888-A1 ISOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2021-02-11 — — 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-20220388979-A1 QUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABL1, PHKB, EEF2K PARP1 1284/4885PTPN11 1612/4885CYP3A4 4406/4885

“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.

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