SCHEMBL17445624

SCHEMBL17445624

COc1ccc(Oc2cc(NCC3COC3)c3ncc(C)n3n2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 15/20 0.65
▸ CACNA1H O95180 2/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ GALR1 P47211 1/20 0.35
▸ FYN P06241 1/20 0.33

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
SCHEMBL19336813 0.90 TTK (0.65) TTKCACNA1HMAPK1GALR1FYN
SCHEMBL17445622 0.87 TTK (0.78) TTKCACNA1HFYN
SCHEMBL19336826 0.86 TTK (0.70) TTKCACNA1HFYN
SCHEMBL15554470 0.80 TTK (1.00) TTK
SCHEMBL17445627 0.80 TTK (0.66) TTKFYN
SCHEMBL19336800 0.79 TTK (0.83) TTK
SCHEMBL19500853 0.78 TTK (0.40) TTK
SCHEMBL17425437 0.75 TTK (0.76) TTKFYN
SCHEMBL456224 0.74 TTK (0.78) TTKFYN
SCHEMBL458692 0.73 TTK (0.76) TTK

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-9512130-B2 Substituted imidazopyridazines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-06 — — US disclosed
US-20160016959-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-21 — — 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-20160016959-A1 SUBSTITUTED IMIDAZOPYRIDAZINES VEGFA, PGF, VHL TTK 2301/4885CACNA1H 4637/4885MAPK1 2448/4885

“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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