SCHEMBL30820387

SCHEMBL30820387

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.61
▸ KDR P35968 9/20 0.58
▸ RET P07949 3/20 0.58
▸ KIF5B P33176 3/20 0.58
▸ ERBB2 P04626 2/20 0.51
▸ ABCG2 Q9UNQ0 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ GAK O14976 1/20 0.51
▸ MAPK13 O15264 1/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CDK1 P06493 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ FBP1 P09467 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ SRC P12931 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.51

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
SCHEMBL29168707 1.00 EGFR (0.61) EGFRKDRRETKIF5BERBB2
SCHEMBL30820457 0.90 EGFR (0.73) EGFRKDRRETKIF5BERBB2
SCHEMBL27152271 0.90 EGFR (0.73) EGFRKDRRETKIF5BERBB2
SCHEMBL30820600 0.83 FBP1 (0.62) EGFRKDRRETKIF5BERBB2
SCHEMBL29168723 0.83 FBP1 (0.62) EGFRKDRRETKIF5BERBB2
SCHEMBL30820511 0.83 EGFR (0.64) EGFRKDRRETKIF5BERBB2
Hydrochloric Acid SCHEMBL28028746 0.81 KDR (0.81) EGFRKDRRETKIF5BERBB2
SCHEMBL30822070 0.79 EGFR (0.53) EGFRKDRRETKIF5BERBB2
SCHEMBL30820401 0.76 NPC1 (0.70) EGFRKDRRETKIF5BERBB2
SCHEMBL5864702 0.76 EGFR (0.77) EGFRKDRRETKIF5BERBB2

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 3 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
CN-117693505-A Heteroaryl derivative compounds and uses thereof 沃若诺伊公司 2024-03-12 — — CN 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 24/4885RET 37/4885

“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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