SCHEMBL30822108

SCHEMBL30822108

COCCOc1cc2ncnc(Nc3cc(Br)ccc3OC)c2cc1NC1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.57
▸ KDR P35968 9/20 0.57
▸ FGFR1 P11362 6/20 0.57
▸ FLT1 P17948 6/20 0.57
▸ FLT4 P35916 6/20 0.57
▸ FBP1 P09467 1/20 0.53
▸ RET P07949 1/20 0.47
▸ KIF5B P33176 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ GAK O14976 1/20 0.46
▸ EPHA2 P29317 2/20 0.46

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
SCHEMBL30822070 0.86 EGFR (0.53) EGFRKDRFGFR1FLT1FLT4
SCHEMBL30822079 0.85 CYP1A2 (0.47) EGFRKDRFGFR1FLT1FLT4
SCHEMBL27145372 0.82 EGFR (0.57) EGFRKDREPHA2
SCHEMBL30820521 0.81 EGFR (0.61) EGFRKDRFGFR1FLT1FLT4
SCHEMBL29168736 0.81 EGFR (0.61) EGFRKDRFGFR1FLT1FLT4
SCHEMBL30820600 0.79 FBP1 (0.62) EGFRKDRFGFR1FLT1FLT4
SCHEMBL29168723 0.79 FBP1 (0.62) EGFRKDRFGFR1FLT1FLT4
SCHEMBL30820454 0.79 EGFR (0.59) EGFRKDRFGFR1FLT1FLT4
SCHEMBL27148399 0.79 EGFR (0.59) EGFRKDRFGFR1FLT1FLT4
SCHEMBL30820517 0.75 EGFR (0.64) EGFRKDRFGFR1FLT1FLT4

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-20240246940-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF VORONOI INC. (KR) 2024-07-25 — — US disclosed
EP-4328222-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF Voronoi Inc. (KR) 2024-02-28 — — EP 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-20240246940-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF ERBB2, EGFR, ERBB3 EGFR 2/4885KDR 24/4885FGFR1 23/4885

“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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