Sugi Predict

Sugi Predict / Compounds / SCHEMBL5724764

SCHEMBL5724764

SCHEMBL5724764

C[C@@H]1CN(c2ccc(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)cc2)CCN1C

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 17/20 0.77
▸ CCND1 P24385 17/20 0.77
▸ CDK11A Q9UQ88 16/20 0.77
▸ CCNT1 O60563 16/20 0.77
▸ CDK9 P50750 16/20 0.77
▸ CDK6 Q00534 15/20 0.77
▸ LTK P29376 1/20 0.61
▸ CLK2 P49760 1/20 0.61
▸ GSK3A P49840 1/20 0.61
▸ GSK3B P49841 1/20 0.61
▸ CDK7 P50613 1/20 0.61
▸ LIMK1 P53667 1/20 0.61
▸ CDK5 Q00535 1/20 0.61
▸ PRKCQ Q04759 1/20 0.61
▸ TAOK1 Q7L7X3 1/20 0.61
▸ CLK4 Q9HAZ1 1/20 0.61
▸ ALK Q9UM73 1/20 0.61

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
SCHEMBL5724762 1.00 CDK4 (0.77) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL5725771 1.00 CDK4 (0.77) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL5726610 0.87 CDK11A (1.00) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL5726150 0.85 CDK11A (0.72) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL5726146 0.85 CDK11A (0.72) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL5725215 0.84 CDK11A (0.93) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL5726435 0.84 CDK4 (0.82) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL5727225 0.83 CDK4 (0.82) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL5725351 0.83 CDK4 (0.78) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL5727503 0.82 CDK11A (0.64) CDK4CCND1CDK11ACCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056732-B1 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMA (US) 2006-01-11 — — EP disclosed
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CHONG WESLEY K M (US) 2003-11-27 — — US disclosed
US-6569878-B1 Such as 4-amino-2-phenylamino-thiazol-5-yl)-(3-nitrophenyl)-methanone for treating cancer AGOURON PHARMACEUTICALS INC. 2003-05-27 — — US disclosed
EP-1215208-A2 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases Agouron Pharmaceuticals, Inc. (US) 2002-06-19 — — EP disclosed
EP-1056732-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-06 — — EP disclosed
WO-1999021845-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 1999-05-06 — — WO 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-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CDK2, CDK4, CDK1 CDK4 2/4885CCND1 28/4885CDK11A 38/4885

“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.