SCHEMBL12547797

SCHEMBL12547797

CN1CCC(Oc2cnc(-c3cccc(Cn4nnc5cnc(-c6cnn(C)c6)nc54)c3)nc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 11/20 0.57
▸ NQO2 P16083 1/20 0.40
▸ DYRK1A Q13627 3/20 0.40
▸ WNT1 P04628 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ TTK P33981 1/20 0.39
▸ CLK2 P49760 2/20 0.38
▸ CLK3 P49761 2/20 0.38
▸ IRAK1 P51617 4/20 0.38
▸ IRAK4 Q9NWZ3 4/20 0.38

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
SCHEMBL12547210 0.86 MET (0.56) MET
SCHEMBL12547564 0.84 MET (0.61) METIRAK1IRAK4
SCHEMBL1952590 0.81 MET (0.55) METIRAK1IRAK4
SCHEMBL3091030 0.79 MET (0.62) METNQO2
SCHEMBL12547542 0.78 MET (0.56) MET
SCHEMBL12547736 0.77 MET (0.58) METNQO2IRAK1IRAK4
SCHEMBL12547422 0.76 MET (0.56) METNQO2
SCHEMBL12547718 0.75 MET (0.49) METIRAK1
SCHEMBL12547561 0.74 MET (0.57) METNQO2
SCHEMBL12547481 0.74 MAP4K1 (0.44) METNQO2DYRK1AWNT1GSK3B

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-8435986-B2 Bicyclic traizole derivatives for treating of tumors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-07 — — US disclosed
US-20110135600-A1 BICYCLIC TRAIZOLE DERIVATIVES FOR TREATING OF TUMORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-06-09 — — US disclosed
US-20110135600-A1 BICYCLIC TRAIZOLE DERIVATIVES FOR TREATING OF TUMORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-06-09 — — 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-20110135600-A1 BICYCLIC TRAIZOLE DERIVATIVES FOR TREATING OF TUMORS RET, BMX, ERBB2 MET 11/4885NQO2 2664/4885DYRK1A 100/4885

“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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