SCHEMBL24037401

SCHEMBL24037401

Nc1ccc(Oc2ccnc(N3CCOCC3)c2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.47
PIK3CA P42336 6/20 0.44
AKT1 P31749 2/20 0.42
MTOR P42345 2/20 0.42
PLK4 O00444 1/20 0.42
LRRK2 Q5S007 7/20 0.42
PIK3C3 Q8NEB9 1/20 0.40
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
ELOVL1 Q9BW60 1/20 0.38
CNR2 P34972 1/20 0.38
TGFBR1 P36897 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL29834784 0.88 HRH4 (0.39) MAPK13LRRK2ELOVL1CNR2
SCHEMBL29834720 0.87 HRH4 (0.41) MAPK13LRRK2ELOVL1CNR2
SCHEMBL29834781 0.82 TYK2 (0.36) MAPK13
SCHEMBL171298 0.80 MAPK13 (0.55) MAPK13PIK3CAAKT1MTORLRRK2
SCHEMBL29834723 0.80 KDM4E (0.41) MAPK13PIK3CAPLK4CYP2C19
SCHEMBL27096991 0.80 LRRK2 (0.39) LRRK2TGFBR1
SCHEMBL29834771 0.80 LRRK2 (0.43) PIK3CALRRK2
SCHEMBL27096964 0.79 OPRD1 (0.35) LRRK2
SCHEMBL2935597 0.78 BRAF (0.60) PIK3CAAKT1MTORPLK4
SCHEMBL27096891 0.78 LRRK2 (0.43) LRRK2

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-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
WO-2021231400-A1 BIS-ARYL ETHERS CONTAINING N-ACYL AZETIDINE AS EGFR/HER2 INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2021-11-18 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 MAPK13 321/4885PIK3CA 9/4885AKT1 225/4885

“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.