SCHEMBL30822070

SCHEMBL30822070

COc1ccc(Br)cc1Nc1ncnc2cc(OC(F)F)c(NC3CCNCC3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.53
▸ KDR P35968 12/20 0.53
▸ FGFR1 P11362 9/20 0.53
▸ FLT1 P17948 9/20 0.53
▸ FLT4 P35916 9/20 0.53
▸ RET P07949 2/20 0.49
▸ KIF5B P33176 2/20 0.49
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ EPHA2 P29317 3/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ NCOA1 Q15788 1/20 0.45
▸ NCOA3 Q9Y6Q9 1/20 0.45
▸ PDGFRB P09619 2/20 0.44
▸ TEK Q02763 2/20 0.44

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
SCHEMBL30031254 0.86 EGFR (0.52) EGFRKDRFGFR1FLT1FLT4
SCHEMBL30822108 0.86 EGFR (0.57) EGFRKDRFGFR1FLT1FLT4
SCHEMBL27136300 0.83 EGFR (0.73) EGFRRETERBB2EPHB2RIPK2
SCHEMBL30820513 0.83 EGFR (0.73) EGFRRETERBB2EPHB2RIPK2
SCHEMBL29168736 0.82 EGFR (0.61) EGFRKDRFGFR1FLT1FLT4
SCHEMBL30820521 0.82 EGFR (0.61) EGFRKDRFGFR1FLT1FLT4
SCHEMBL27145045 0.82 EGFR (0.57) EGFRKDREPHA2ALK
SCHEMBL29168707 0.79 EGFR (0.61) EGFRKDRFGFR1FLT1RET
SCHEMBL30820387 0.79 EGFR (0.61) EGFRKDRFGFR1FLT1RET
SCHEMBL30820454 0.79 EGFR (0.59) 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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