SCHEMBL11926760

SCHEMBL11926760

CCc1ccc2c(c1)NC(=O)/C2=C\c1cnc[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLK2 Q86UE8 8/20 0.63
▸ CDK5 Q00535 3/20 0.63
▸ MAPT P10636 2/20 0.63
▸ CDK5R1 Q15078 2/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ PTK2B Q14289 1/20 0.63
▸ CSF1R P07333 7/20 0.58
▸ CDK1 P06493 2/20 0.58
▸ RET P07949 2/20 0.58
▸ CDK2 P24941 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ KDR P35968 2/20 0.58
▸ GSK3A P49840 2/20 0.58
▸ GSK3B P49841 2/20 0.58
▸ CDK7 P50613 2/20 0.58
▸ CDK9 P50750 2/20 0.58
▸ PDPK1 O15530 2/20 0.58
▸ NTRK1 P04629 2/20 0.58
▸ PLK4 O00444 1/20 0.58
▸ CHEK1 O14757 1/20 0.58

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
SCHEMBL12727794 0.90 TLK2 (0.67) TLK2CDK5MAPTCDK5R1SMN1; SMN2
SCHEMBL12064437 0.90 TLK2 (0.67) TLK2CDK5MAPTCDK5R1SMN1; SMN2
SCHEMBL12722125 0.84 TLK2 (0.67) TLK2CDK5MAPTCDK5R1SMN1; SMN2
SCHEMBL20402601 0.81 TLK2 (0.63) TLK2CDK5MAPTCDK5R1SMN1; SMN2
SCHEMBL20402600 0.81 CSF1R (0.72) TLK2CDK5MAPTCDK5R1SMN1; SMN2
SCHEMBL12123831 0.80 PDPK1 (0.67) TLK2CDK5CSF1RRETKDR
SCHEMBL20401696 0.78 TLK2 (0.67) TLK2CDK5MAPTCDK5R1SMN1; SMN2
SCHEMBL12838026 0.78 TLK2 (0.51) TLK2CDK5MAPTCDK5R1SMN1; SMN2
SCHEMBL29476105 0.78 TLK2 (1.00) TLK2CDK5MAPTCDK5R1SMN1; SMN2
SCHEMBL7828051 0.77 TLK2 (0.72) TLK2CDK5MAPTCDK5R1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 — — 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-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 TLK2 719/4885CDK5 269/4885MAPT 3529/4885

“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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