SCHEMBL4330495

SCHEMBL4330495

Nc1nc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2)sc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.59
CCND1 P24385 10/20 0.59
CDK11A Q9UQ88 9/20 0.59
CCNT1 O60563 8/20 0.59
CDK9 P50750 8/20 0.59
CDK6 Q00534 8/20 0.59
CDK5 Q00535 5/20 0.57
GSK3A P49840 2/20 0.57
GSK3B P49841 2/20 0.57
LTK P29376 1/20 0.57
CLK2 P49760 1/20 0.57
CDK7 P50613 1/20 0.57
LIMK1 P53667 1/20 0.57
PRKCQ Q04759 1/20 0.57
TAOK1 Q7L7X3 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
ALK Q9UM73 1/20 0.57
CDK5R1 Q15078 4/20 0.52
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL4343094 0.99 CDK4 (0.58) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4337255 0.92 CDK4 (0.60) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4336027 0.91 CDK4 (0.54) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4342334 0.91 CDK4 (0.62) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4333566 0.91 CDK4 (0.62) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4340987 0.91 CDK4 (0.59) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4337513 0.91 CCNA2 (0.60) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4343119 0.90 CDK4 (0.56) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4333490 0.90 CDK4 (0.61) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4336432 0.90 CCNA2 (0.59) 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 13 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
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US 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
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.