SCHEMBL22505585

SCHEMBL22505585

COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)n[nH]4)c(C)c3)c2cc1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 17/20 0.57
▸ PDGFRA P16234 8/20 0.57
▸ AURKB Q96GD4 6/20 0.57
▸ KIT P10721 4/20 0.57
▸ RET P07949 4/20 0.57
▸ PDGFRB P09619 3/20 0.57
▸ FGFR1 P11362 3/20 0.57
▸ FLT1 P17948 3/20 0.57
▸ FLT4 P35916 3/20 0.57
▸ FGFR2 P21802 3/20 0.57
▸ ABL1 P00519 3/20 0.57
▸ RIPK2 O43353 2/20 0.57
▸ STK10 O94804 2/20 0.57
▸ BCR P11274 2/20 0.57
▸ SLC6A3 Q01959 2/20 0.57
▸ DDR1 Q08345 2/20 0.57
▸ MAP4K2 Q12851 2/20 0.57
▸ PTK6 Q13882 2/20 0.57
▸ DDR2 Q16832 2/20 0.57
▸ RIPK3 Q9Y572 2/20 0.57

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
SCHEMBL22505603 0.92 KDR (0.68) KDRPDGFRAAURKBKITRET
SCHEMBL22535129 0.92 KDR (0.55) KDRPDGFRAAURKBKITRET
SCHEMBL22505693 0.91 KDR (0.56) KDRPDGFRAAURKBKITRET
SCHEMBL22505607 0.88 KDR (0.50) KDRPDGFRAAURKBKITRET
SCHEMBL22505653 0.87 PDGFRA (0.52) KDRPDGFRAAURKBKITRET
SCHEMBL22505591 0.87 PDGFRA (0.53) KDRPDGFRAAURKBKITRET
SCHEMBL22505717 0.85 KDR (0.58) KDRPDGFRAAURKBKITRET
SCHEMBL22505568 0.85 PDGFRA (0.48) KDRPDGFRAAURKBKITRET
SCHEMBL22505601 0.85 KDR (0.58) KDRPDGFRAAURKBKITRET
SCHEMBL22505615 0.84 KDR (0.56) KDRPDGFRAAURKBKITRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800741-B2 Quinoline compound, preparation method and medical use therefor ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2020-10-13 — — US disclosed
US-10800741-B2 Quinoline compound, preparation method and medical use therefor ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2020-10-13 — — 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 (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-10800741-B2 Quinoline compound, preparation method and medical use therefor WEE2, WEE1, HASPIN KDR 2448/4885PDGFRA 2993/4885AURKB 406/4885

“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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