SCHEMBL12064807

SCHEMBL12064807

CCC(Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1cccc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 10/20 0.54
▸ CDK9 P50750 10/20 0.54
▸ CSF1R P07333 3/20 0.52
▸ CCNC P24863 1/20 0.49
▸ CDK8 P49336 1/20 0.49
▸ FYN P06241 3/20 0.48
▸ CDK2 P24941 3/20 0.44
▸ CDK7 P50613 1/20 0.44
▸ BRAF P15056 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ GFER P55789 1/20 0.42

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
SCHEMBL12056814 0.93 CCNT1 (0.52) CCNT1CDK9CSF1RCCNCCDK8
SCHEMBL12698727 0.90 CCNC (0.60) CCNT1CDK9CSF1RCCNCCDK8
SCHEMBL5203867 0.90 CCNC (0.60) CCNT1CDK9CSF1RCCNCCDK8
SCHEMBL12064718 0.90 CCNT1 (0.54) CCNT1CDK9CSF1RCCNCCDK8
SCHEMBL12065366 0.90 CSF1R (0.51) CCNT1CDK9CSF1RCCNCCDK8
SCHEMBL19447189 0.89 CSF1R (0.57) CCNT1CDK9CSF1RCCNCCDK8
SCHEMBL12064822 0.88 FYN (0.52) CCNT1CDK9CSF1RCCNCCDK8
SCHEMBL13340175 0.88 CSF1R (0.67) CCNT1CDK9CSF1RBRAF
SCHEMBL12064719 0.87 CSF1R (0.59) CCNT1CDK9CSF1RCCNCCDK8
SCHEMBL12065006 0.87 BRAF (0.50) CCNT1CDK9CSF1RCCNCCDK8

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 CCNT1 295/4885CDK9 308/4885CSF1R 2097/4885

“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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