SCHEMBL13810662

SCHEMBL13810662

COc1ccc(Cc2cnc3ncc(-c4ccccc4)cn23)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.49
▸ MET P08581 3/20 0.48
▸ LTA4H P09960 1/20 0.46
▸ CYP11B1 P15538 3/20 0.45
▸ CYP11B2 P19099 3/20 0.45
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ SCN2A Q99250 1/20 0.40
▸ NPBWR1 P48145 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ CYP19A1 P11511 1/20 0.39

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
SCHEMBL1953680 0.88 MET (0.52) KDRMETRAB9ANPC1GRM5
SCHEMBL13810669 0.85 CLK1 (0.48) MET
SCHEMBL13810667 0.83 KDR (0.53) KDRMETCYP11B1CYP11B2RAB9A
SCHEMBL13810663 0.83 MET (0.68) METL3MBTL1GRM5
SCHEMBL13810665 0.80 SMN1; SMN2 (0.48) METLTA4HGAARAB9ANPC1
SCHEMBL11819224 0.72 LTA4H (0.80) LTA4HRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL9924384 0.70 MET (0.65) METCYP11B1CYP11B2RAB9ANPC1
SCHEMBL17450971 0.69 CYP11B1 (0.54) LTA4HCYP11B1CYP11B2RAB9ANPC1
SCHEMBL13810670 0.69 MET (0.48) KDRMETCYP11B1CYP11B2
SCHEMBL2698497 0.69 MET (0.70) KDRMETLTA4HRAB9ANPC1

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-20090156617-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-06-18 — — US disclosed
US-20090156617-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-06-18 — — US 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-20090156617-A1 Tyrosine kinase inhibitors ABL1, ERBB2, MET KDR 119/4885MET 3/4885LTA4H 4313/4885

“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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