SCHEMBL15524676

SCHEMBL15524676

COC(=O)CC(Cc1ccccc1)c1nc(Nc2cnn(C3CCN(C(=O)O)CC3)c2)ncc1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 11/20 0.46
▸ FLT4 P35916 7/20 0.44
▸ CDK1 P06493 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ KDR P35968 4/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ TYK2 P29597 1/20 0.41

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
SCHEMBL15524195 0.92 JAK3 (0.47) IGF1RFLT4CDK1CDK2CDK8
SCHEMBL15524600 0.91 FLT4 (0.48) IGF1RFLT4CDK1CDK2CDK8
SCHEMBL15524870 0.89 FLT4 (0.52) IGF1RFLT4CDK1CDK2CDK8
SCHEMBL15524648 0.85 JAK3 (0.45) IGF1RFLT4KDRJAK1JAK3
SCHEMBL15524767 0.84 FLT4 (0.43) FLT4KDRJAK3
SCHEMBL15524788 0.84 JAK3 (0.47) IGF1RFLT4KDRJAK1JAK3
SCHEMBL15524689 0.82 FLT4 (0.49) IGF1RFLT4KDRJAK3JAK2
SCHEMBL15512982 0.82 FLT4 (0.51) IGF1RFLT4CDK1CDK2CDK8
SCHEMBL15524290 0.82 SYK (0.47) CDK1CDK2CDK9JAK1JAK3
SCHEMBL15523838 0.80 FLT4 (0.55) IGF1RFLT4KDRJAK1JAK3

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-9266864-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-02-23 — — US disclosed
US-20140080798-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-20 — — US disclosed
US-20090068168-A1 SUBSTITUTED AMINO ALCOHOLS AUSPEX PHARMACEUTICALS, INC. (US) 2009-03-12 — — 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 (2 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-20090068168-A1 SUBSTITUTED AMINO ALCOHOLS GOT1, AADAT, ADH1A IGF1R 4602/4885FLT4 4643/4885CDK1 4083/4885
US-20140080798-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR IGF1R 29/4885FLT4 1/4885CDK1 89/4885

“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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