SCHEMBL12064822

SCHEMBL12064822

CCC(Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1ccc(OC)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 6/20 0.52
▸ CCNC P24863 1/20 0.50
▸ CDK8 P49336 1/20 0.50
▸ CSF1R P07333 3/20 0.49
▸ CCNT1 O60563 6/20 0.45
▸ CDK9 P50750 6/20 0.45
▸ GAA P10253 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ BRAF P15056 2/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ CDK2 P24941 1/20 0.40

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
SCHEMBL12056871 0.93 FYN (0.49) FYNCCNCCDK8CSF1RCCNT1
SCHEMBL12064805 0.92 CCNC (0.53) FYNCCNCCDK8CSF1RCCNT1
SCHEMBL12698727 0.90 CCNC (0.60) FYNCCNCCDK8CSF1RCCNT1
SCHEMBL5203867 0.90 CCNC (0.60) FYNCCNCCDK8CSF1RCCNT1
SCHEMBL12064719 0.89 CSF1R (0.59) FYNCCNCCDK8CSF1RCCNT1
SCHEMBL12065316 0.89 FYN (0.57) FYNCCNCCDK8CSF1RCCNT1
SCHEMBL12064807 0.88 CCNT1 (0.54) FYNCCNCCDK8CSF1RCCNT1
SCHEMBL12065054 0.88 CCNC (0.52) FYNCCNCCDK8CSF1RCCNT1
SCHEMBL12065366 0.87 CSF1R (0.51) FYNCCNCCDK8CSF1RCCNT1
SCHEMBL12065011 0.87 CCNC (0.48) FYNCCNCCDK8CSF1RCCNT1

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-8084456-B2 Pyrazine-based tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-12-27 — — US disclosed
US-20070082894-A1 Pyrazine-based tubulin inhibitors CYTOPIA PTY LTD (AU) 2007-04-12 — — 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 (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-20070082894-A1 Pyrazine-based tubulin inhibitors TUBB1, TUBA1C, TUBB FYN 2703/4885CCNC 540/4885CDK8 429/4885

“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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