SCHEMBL29834652

SCHEMBL29834652

Nc1ccc(Oc2ccnc(-c3cscn3)c2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4B O94953 3/20 0.42
▸ KDM5C P41229 3/20 0.42
▸ KDM5B Q9UGL1 3/20 0.42
▸ KDM4A O75164 2/20 0.42
▸ CCR1 P32246 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ NR4A1 P22736 1/20 0.34
▸ KDM6B O15054 1/20 0.32
▸ KDM2A Q9Y2K7 1/20 0.32
▸ KDM3A Q9Y4C1 1/20 0.32
▸ KDR P35968 4/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ METAP2 P50579 2/20 0.31
▸ METAP1 P53582 1/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ MAPK14 Q16539 1/20 0.30

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
SCHEMBL27096820 0.80 KDM4B (0.46) KDM4BKDM5CKDM5BKDM4ACCR1
SCHEMBL824559 0.77 CCR1 (0.36) CCR1CCR5CCR8NR4A1KDR
SCHEMBL11958452 0.77 FEN1 (0.37) CCR1CCR5CCR8NR4A1KDR
SCHEMBL29834811 0.77 ASIC3 (0.49) NR4A1ALDH1A1
SCHEMBL11958462 0.76 CCR1 (0.35) CCR1CCR5CCR8NR4A1KDR
SCHEMBL14031589 0.76 SCN9A (0.35) CCR1CCR5CCR8NR4A1KDR
SCHEMBL29834758 0.76 NR4A1 (0.41) NR4A1KDRALDH1A1MAPK14
SCHEMBL2030061 0.75 PIM1 (0.40) KDR
SCHEMBL1137172 0.75 NOS3 (0.50) NR4A1ALDH1A1MAPK14
SCHEMBL5058569 0.75 LTA4H (0.41) CCR1CCR5CCR8NR4A1KDR

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-20240398805-A1 QUINAZOLINE DERIVED COMPOUNDS AS EGFR INHIBITORS AND THEIR USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2024-12-05 — — US disclosed
WO-2022170043-A1 QUINAZOLINE DERIVED COMPOUNDS AS EGFR INHIBITORS AND THEIR USES THEREOF ACCUTAR BIOTECHNOLOGY, INC. (US) 2022-08-11 — — 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-20240398805-A1 QUINAZOLINE DERIVED COMPOUNDS AS EGFR INHIBITORS AND THEIR USES THEREOF ERBB2, EGFR, ERBB4 KDM4B 3297/4885KDM5C 2554/4885KDM5B 2973/4885

“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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