SCHEMBL12064437

SCHEMBL12064437

CCc1ccc2c(c1)/C(=C\c1cnc[nH]1)C(=O)N2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLK2 Q86UE8 13/20 0.67
▸ CDK5 Q00535 3/20 0.67
▸ NTRK1 P04629 3/20 0.67
▸ CDK1 P06493 2/20 0.67
▸ RET P07949 2/20 0.67
▸ CDK2 P24941 2/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ KDR P35968 2/20 0.67
▸ GSK3A P49840 2/20 0.67
▸ GSK3B P49841 2/20 0.67
▸ CDK7 P50613 2/20 0.67
▸ CDK9 P50750 2/20 0.67
▸ MAPT P10636 2/20 0.67
▸ CDK5R1 Q15078 2/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ PDPK1 O15530 2/20 0.67
▸ PLK4 O00444 1/20 0.67
▸ CHEK1 O14757 1/20 0.67
▸ AURKA O14965 1/20 0.67
▸ JAK2 O60674 1/20 0.67

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 1.00 TLK2 (0.67) TLK2CDK5NTRK1CDK1RET
SCHEMBL11926760 0.90 TLK2 (0.63) TLK2CDK5NTRK1CDK1RET
SCHEMBL20401696 0.88 TLK2 (0.67) TLK2CDK5NTRK1CDK1RET
SCHEMBL9921923 0.84 TLK2 (0.72) TLK2CDK5NTRK1CDK1RET
SCHEMBL23356452 0.83 NTRK1 (0.63) TLK2CDK5NTRK1CDK1RET
SCHEMBL19709650 0.81 TLK2 (0.68) TLK2CDK5NTRK1CDK1RET
SCHEMBL12838026 0.81 TLK2 (0.51) TLK2CDK5NTRK1CDK1RET
Su-9516 SCHEMBL1170687 0.81 TLK2 (1.00) TLK2CDK5NTRK1CDK1RET
SCHEMBL12056351 0.81 TLK2 (0.67) TLK2CDK5NTRK1CDK1RET
Su-9516 SCHEMBL1170686 0.81 TLK2 (1.00) TLK2CDK5NTRK1CDK1RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084479-B2 Thiazole compounds and methods of use AMGEN INC. (US) 2011-12-27 — — US disclosed
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 — — US disclosed
US-7897619-B2 Heterocyclic modulators of PKB AMGEN INC. (US) 2011-03-01 — — US disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 — — US disclosed
US-20090275592-A1 Heterocyclic modulators of PKB AMGEN INC. (US) 2009-11-05 — — US disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 — — US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 — — US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 — — 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 (4 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-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR TLK2 202/4885CDK5 228/4885NTRK1 4327/4885
US-20090275592-A1 Heterocyclic modulators of PKB MTOR, PDK1, EIF4EBP1 TLK2 1062/4885CDK5 162/4885NTRK1 4672/4885
US-20090270445-A1 Thiazole compounds and methods of use MTOR, JAK2, TK2 TLK2 219/4885CDK5 234/4885NTRK1 3186/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 TLK2 247/4885CDK5 386/4885NTRK1 4168/4885

“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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