SCHEMBL12056808

SCHEMBL12056808

CCCC(Nc1cncc(Cl)n1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.45
▸ DRD2 P14416 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ CCNT1 O60563 4/20 0.40
▸ CDK9 P50750 4/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ CSF1R P07333 6/20 0.36
▸ AURKA O14965 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ GPR55 Q9Y2T6 2/20 0.35
▸ NTRK1 P04629 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
SCHEMBL12056811 0.89 CCNT1 (0.41) HDAC6DRD2HTR2AHRH1CCNT1
SCHEMBL906189 0.88 CSF1R (0.43) HDAC6DRD2HTR2AHRH1CCNT1
SCHEMBL4814302 0.87 CDK2 (0.36) HDAC6DRD2HTR2AHRH1CCNT1
SCHEMBL12056804 0.87 FYN (0.41) HDAC6CCNT1CDK9CDK2CCNC
SCHEMBL12064800 0.86 CSF1R (0.42) HDAC6CDK2CCNCCDK8CSF1R
SCHEMBL12056813 0.86 CCNT1 (0.42) CCNT1CDK9CDK2CCNCCDK8
SCHEMBL12056807 0.85 CDK2 (0.44) HDAC6CCNT1CDK9CDK2CCNC
SCHEMBL12056800 0.85 CSF1R (0.36) HDAC6DRD2HTR2AHRH1CCNT1
SCHEMBL28763820 0.81 CSF1R (0.46) CDK2CCNCCDK8CSF1R
SCHEMBL906176 0.81 CSF1R (0.46) CDK2CCNCCDK8CSF1R

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569917-B1 PYRAZINE-BASED TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-12-07 — — EP disclosed
US-8084456-B2 Pyrazine-based tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-12-27 — — US disclosed
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
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 HDAC6 32/4885DRD2 3652/4885HTR2A 2907/4885

“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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