SCHEMBL16508302

SCHEMBL16508302

Nc1ncnn2c(C[C@@H]3C[C@@H]3CN3CCCC3)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 12/20 0.40
▸ TNK2 Q07912 2/20 0.38
▸ IGF1R P08069 4/20 0.36
▸ INSR P06213 3/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ LYN P07948 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ MARK3 P27448 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ FLT3 P36888 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
SCHEMBL14312351 1.00 ACVRL1 (0.40) ACVRL1TNK2IGF1RINSRPLK4
SCHEMBL14313135 0.93 ACVRL1 (0.49) ACVRL1TNK2IGF1RMERTK
SCHEMBL16508292 0.93 ACVRL1 (0.49) ACVRL1TNK2IGF1RMERTK
SCHEMBL16508303 0.89 ACVRL1 (0.44) ACVRL1TNK2IGF1RINSR
SCHEMBL14312999 0.89 ACVRL1 (0.44) ACVRL1TNK2IGF1RINSR
SCHEMBL14312666 0.85 ACVRL1 (0.45) ACVRL1TNK2IGF1RINSRMERTK
SCHEMBL14312731 0.84 ACVRL1 (0.46) ACVRL1TNK2IGF1RINSRMERTK
SCHEMBL5077195 0.84 CA2 (0.36) ACVRL1TNK2IGF1RINSR
SCHEMBL16508304 0.84 CA2 (0.36) ACVRL1TNK2IGF1RINSR
SCHEMBL5074844 0.83 ACVRL1 (0.43) ACVRL1TNK2IGF1RINSR

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-20110294776-A1 Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases BAYER HEALTHCARE AG (DE) 2011-12-01 — — 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-20110294776-A1 Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases IGF1R, FGFR1, IGFBP1 ACVRL1 336/4885TNK2 356/4885IGF1R 1/4885

“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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