SCHEMBL30729942

SCHEMBL30729942

Nc1ccc(OCc2cscn2)c(Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
FLT1 P17948 1/20 0.38
EPHA2 P29317 1/20 0.38
KDR P35968 1/20 0.38
EPHB4 P54760 1/20 0.38
MGLL Q99685 1/20 0.34
EGFR P00533 1/20 0.33
NMT1 P30419 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
SLC6A3 Q01959 2/20 0.32
NOX1 Q9Y5S8 1/20 0.32
PIM1 P11309 1/20 0.32
DYRK1A Q13627 1/20 0.32
GRM5 P41594 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL30729929 0.76 SYK (0.55) EGFR
SCHEMBL9873609 0.75 FLT1 (0.38) NOS3NOS1FLT1EPHA2KDR
SCHEMBL2194043 0.74 SYK (0.46) NOS3NOS1FLT1EPHA2KDR
SCHEMBL34473075 0.73 HTR2C (0.35) MAPT
Hydrochloric Acid SCHEMBL2195908 0.73 SYK (0.45) NOS3NOS1FLT1EPHA2KDR
SCHEMBL30264760 0.72 KDM1A (0.50) NPC1RAB9AGAAMAPTTDP1
SCHEMBL5548307 0.69 FLT1 (0.41) NOS3NOS1FLT1EPHA2KDR
SCHEMBL30354902 0.69 NOS3 (0.50) NOS3NOS1FLT1EPHA2KDR
SCHEMBL30125766 0.68 HTR2A (0.39) ALDH1A1BACE1GAA
SCHEMBL31379494 0.68 FLT1 (0.38) NOS3NOS1FLT1EPHA2KDR

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-20240059698-A1 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY INC. (US) 2024-02-22 US disclosed
WO-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 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-20240059698-A1 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES EGFR, ERBB2, ERBB3 NOS3 4532/4885NOS1 4797/4885FLT1 172/4885

“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.