SCHEMBL4082152

SCHEMBL4082152

Nc1cccc(N)c1-c1ncc(-c2cccnc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.56
CYP2A6 P11509 8/20 0.51
CYP3A4 P08684 5/20 0.51
CYP2C9 P11712 4/20 0.51
CYP2E1 P05181 3/20 0.51
CYP2B6 P20813 3/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B1 P14061 2/20 0.47
HSD17B2 P37059 2/20 0.47
KDR P35968 4/20 0.46
MEN1 O00255 1/20 0.45
PSIP1 O75475 1/20 0.45
AXL P30530 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
HDAC3 O15379 3/20 0.44
ABL1 P00519 3/20 0.44

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
SCHEMBL30279949 1.00 HPGDS (0.56) HPGDSCYP2A6CYP3A4CYP2C9CYP2E1
SCHEMBL12279413 0.79 HPGDS (0.71) HPGDSCYP2A6CYP3A4CYP2C9CYP2E1
SCHEMBL6691335 0.79 CYP2A6 (0.58) CYP2A6CYP3A4CYP2C9CYP2E1CYP2B6
SCHEMBL15641472 0.78 CYP2A6 (0.59) HPGDSCYP2A6CYP3A4CYP2C9CYP2E1
SCHEMBL30279938 0.78 CYP2A6 (0.59) HPGDSCYP2A6CYP3A4CYP2C9CYP2E1
SCHEMBL12278098 0.76 HPGDS (0.62) HPGDSCYP2A6CYP3A4CYP2C9CYP2D6
Hydrochloric Acid SCHEMBL31452773 0.76 CYP2A6 (0.58) HPGDSCYP2A6CYP3A4CYP2C9CYP2E1
SCHEMBL12278878 0.76 HPGDS (0.55) HPGDSCYP2A6CYP3A4CYP2C9CYP2E1
SCHEMBL9973686 0.75 HPGDS (0.54) HPGDSCYP2A6HSD17B1HSD17B2KDR
SCHEMBL9973741 0.74 HPGDS (0.56) HPGDSCYP2A6CYP3A4CYP2C9HSD17B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850258-A Synthesis method of masitinib 东北林业大学 2023-03-28 CN claimed
CN-115850258-A Synthesis method of masitinib 东北林业大学 2023-03-28 CN disclosed
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES HDAC1, HDAC11, MAP2K2 HPGDS 1515/4885CYP2A6 4712/4885CYP3A4 4810/4885

“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.