Sugi Predict

Sugi Predict / Compounds / SCHEMBL4338443

SCHEMBL4338443

SCHEMBL4338443

CN(C)C1CCN(c2ccc(Nc3nc(N)c(C(=O)c4ccc(Cl)c(Cl)c4)s3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 12/20 0.56
▸ CCND1 P24385 12/20 0.56
▸ CDK11A Q9UQ88 11/20 0.56
▸ CCNT1 O60563 10/20 0.56
▸ CDK9 P50750 10/20 0.56
▸ CDK6 Q00534 10/20 0.56
▸ CDK5 Q00535 4/20 0.56
▸ LTK P29376 1/20 0.56
▸ CLK2 P49760 1/20 0.56
▸ GSK3A P49840 1/20 0.56
▸ GSK3B P49841 1/20 0.56
▸ CDK7 P50613 1/20 0.56
▸ LIMK1 P53667 1/20 0.56
▸ PRKCQ Q04759 1/20 0.56
▸ TAOK1 Q7L7X3 1/20 0.56
▸ CLK4 Q9HAZ1 1/20 0.56
▸ ALK Q9UM73 1/20 0.56
▸ CDK5R1 Q15078 3/20 0.48
▸ TUBB8B A6NNZ2 1/20 0.48
▸ TUBB4A P04350 1/20 0.48

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
SCHEMBL4333416 0.90 CDK4 (0.61) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL14508237 0.90 CDK4 (0.52) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4331507 0.90 CDK4 (0.51) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4336041 0.88 CDK4 (0.56) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4336279 0.88 CDK4 (0.62) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4337167 0.88 CDK4 (0.62) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4343119 0.87 CDK4 (0.56) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL13785057 0.87 CDK4 (0.61) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4338041 0.87 CDK4 (0.61) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL5745076 0.87 CDK4 (0.74) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 — — EP claimed
EP-1740576-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. Hoffman-la Roche AG (CH) 2007-01-10 — — EP claimed
WO-2005103034-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2005-11-03 — — WO claimed
US-20050239843-A1 Diaminothiazoles DING QINGJIE 2005-10-27 — — US claimed
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 — — EP disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 — — US disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 — — US disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 — — US disclosed
EP-1740576-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. Hoffman-la Roche AG (CH) 2007-01-10 — — EP disclosed
WO-2005103034-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2005-11-03 — — WO disclosed
US-20050239843-A1 Diaminothiazoles DING QINGJIE 2005-10-27 — — 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-20050239843-A1 Diaminothiazoles CDK4, CDK2, CDK1 CDK4 1/4885CCND1 40/4885CDK11A 21/4885

“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.