SCHEMBL24466922

SCHEMBL24466922

COc1cc(Nc2ncnc3ccsc23)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.56
FADS1 O60427 1/20 0.56
PIP4K2C Q8TBX8 1/20 0.52
FLT1 P17948 1/20 0.52
IRAK4 Q9NWZ3 2/20 0.51
TEK Q02763 1/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
SYK P43405 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
BRAF P15056 1/20 0.41

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
SCHEMBL29808519 1.00 EGFR (0.56) EGFRFADS1PIP4K2CFLT1IRAK4
SCHEMBL5329628 0.81 MEN1 (0.65) EGFRFADS1PIP4K2CFLT1MEN1
SCHEMBL5314379 0.80 EGFR (0.56) EGFRFADS1PIP4K2CFLT1AURKA
SCHEMBL5315196 0.80 EGFR (0.67) EGFRFADS1PIP4K2CFLT1AURKA
Hydrochloric Acid SCHEMBL5468355 0.80 EGFR (0.64) EGFRFADS1PIP4K2CFLT1MEN1
SCHEMBL5455935 0.79 EGFR (0.62) EGFRFADS1PIP4K2CFLT1IRAK4
Hydrochloric Acid SCHEMBL5472957 0.79 EGFR (0.56) EGFRFADS1PIP4K2CFLT1AURKA
SCHEMBL5468539 0.79 PIP4K2C (0.64) EGFRFADS1PIP4K2CFLT1AURKA
Hydrochloric Acid SCHEMBL5472994 0.79 EGFR (0.65) EGFRFADS1PIP4K2CFLT1AURKA
SCHEMBL5313058 0.78 EGFR (0.66) EGFRFADS1PIP4K2C

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-20220402935-A1 HETEROCYCLIC COMPOUND FIMECS, INC. (JP) 2022-12-22 US disclosed
EP-4006037-A1 HETEROCYCLIC COMPOUND Fimecs, Inc. (JP) 2022-06-01 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-20220402935-A1 HETEROCYCLIC COMPOUND IRAK1, IRAK2, IRAK4 EGFR 814/4885FADS1 4432/4885PIP4K2C 2038/4885

“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.