SCHEMBL13810668

SCHEMBL13810668

Oc1ccc(Cc2cnc3ncc(-c4ccsc4)cn23)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 7/20 0.47
▸ FYN P06241 4/20 0.42
▸ CYP17A1 P05093 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ KDR P35968 3/20 0.38
▸ FLT1 P17948 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ CYP2A6 P11509 2/20 0.35
▸ CYP2E1 P05181 1/20 0.35
▸ CYP2B6 P20813 1/20 0.35
▸ MAOB P27338 1/20 0.34

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
SCHEMBL13810667 0.84 KDR (0.53) METCYP17A1CYP11B1CYP11B2KDR
SCHEMBL13810663 0.82 MET (0.68) MET
SCHEMBL13810670 0.79 MET (0.48) METFYNCYP11B1CYP11B2KDR
SCHEMBL4312306 0.71 CYP17A1 (0.66) METFYNCYP17A1CYP11B1CYP11B2
SCHEMBL13810662 0.66 KDR (0.49) METCYP11B1CYP11B2KDRMAOB
SCHEMBL7618973 0.64 KDR (0.76) KDRFLT1FLT4
SCHEMBL7448864 0.64 CYP2A6 (0.58) FYNCYP17A1CYP11B1CYP11B2CYP2A6
SCHEMBL649500 0.64 CYP2A6 (0.58) FYNCYP17A1CYP11B1CYP11B2CYP2A6
SCHEMBL5652167 0.63 ESR1 (0.61) METCYP17A1CYP11B1CYP11B2
SCHEMBL28764321 0.62 CYP2A6 (0.56) FYNCYP17A1CYP11B1CYP11B2CYP2A6

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 1 patent. 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

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 MET 3/4885FYN 39/4885CYP17A1 4076/4885

“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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