SCHEMBL20402601

SCHEMBL20402601

CC(C)c1ccc2c(c1)NC(=O)/C2=C\c1cnc[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLK2 Q86UE8 9/20 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
▸ 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
▸ PLK4 O00444 1/20 0.58
▸ CHEK1 O14757 1/20 0.58
▸ AURKA O14965 1/20 0.58
▸ JAK2 O60674 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
SCHEMBL12722125 0.84 TLK2 (0.67) TLK2CDK5MAPTCDK5R1SMN1; SMN2
SCHEMBL20402600 0.81 CSF1R (0.72) TLK2CDK5MAPTCDK5R1SMN1; SMN2
SCHEMBL11926760 0.81 TLK2 (0.63) TLK2CDK5MAPTCDK5R1SMN1; SMN2
SCHEMBL12120744 0.80 PDGFRB (0.67) TLK2CDK5RETKDRGSK3A
SCHEMBL25567357 0.78 CSF1R (0.74) TLK2CSF1RNEK2
SCHEMBL29476105 0.78 TLK2 (1.00) TLK2CDK5MAPTCDK5R1SMN1; SMN2
SCHEMBL7828051 0.77 TLK2 (0.72) TLK2CDK5MAPTCDK5R1SMN1; SMN2
SCHEMBL9921923 0.76 TLK2 (0.72) TLK2CDK5MAPTCDK5R1SMN1; SMN2
SCHEMBL14040857 0.74 TLK2 (0.84) TLK2CDK5MAPTCDK5R1SMN1; SMN2
SCHEMBL8185332 0.74 TLK2 (0.68) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070752-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS VIRACTA THERAPEUTICS, INC. 2021-03-11 — — US disclosed
US-20190119268-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2019-04-25 — — US disclosed
US-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-07-24 — — 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 (3 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-20210070752-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 TLK2 719/4885CDK5 269/4885MAPT 3529/4885
US-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors PDK1, PDK2, PDK3 TLK2 719/4885CDK5 269/4885MAPT 3529/4885
US-20190119268-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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