SCHEMBL4337579

SCHEMBL4337579

Nc1nc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2)sc1C(=O)c1cccc(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 5/20 0.60
CDK2 P24941 5/20 0.60
CDK4 P11802 8/20 0.59
CCND1 P24385 8/20 0.59
CDK11A Q9UQ88 8/20 0.59
CCNT1 O60563 6/20 0.59
CDK9 P50750 6/20 0.59
CDK6 Q00534 6/20 0.59
CDK5 Q00535 6/20 0.54
GSK3A P49840 2/20 0.54
GSK3B P49841 2/20 0.54
LTK P29376 1/20 0.54
CLK2 P49760 1/20 0.54
CDK7 P50613 1/20 0.54
LIMK1 P53667 1/20 0.54
PRKCQ Q04759 1/20 0.54
TAOK1 Q7L7X3 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
ALK Q9UM73 1/20 0.54
CDK5R1 Q15078 5/20 0.50

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
SCHEMBL4333446 0.99 CCNA2 (0.59) CCNA2CDK2CDK4CCND1CDK11A
SCHEMBL4337127 0.94 CCNA2 (0.57) CCNA2CDK2CDK4CCND1CDK11A
SCHEMBL4333312 0.92 CCNA2 (0.55) CCNA2CDK2CDK4CCND1CDK11A
SCHEMBL14508264 0.91 CDK4 (0.59) CCNA2CDK2CDK4CCND1CDK11A
SCHEMBL4333315 0.90 CCNA2 (0.64) CCNA2CDK2CDK4CCND1CDK11A
SCHEMBL13785100 0.90 CDK4 (0.61) CCNA2CDK2CDK4CCND1CDK11A
SCHEMBL4340809 0.90 CCNA2 (0.63) CCNA2CDK2CDK4CCND1CDK11A
SCHEMBL14508291 0.90 CDK4 (0.60) CCNA2CDK2CDK4CCND1CDK11A
SCHEMBL4338839 0.90 CDK4 (0.57) CCNA2CDK2CDK4CCND1CDK11A
SCHEMBL4337255 0.89 CDK4 (0.60) CCNA2CDK2CDK4CCND1CDK11A

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 12 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
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 CCNA2 30/4885CDK2 2/4885CDK4 1/4885

“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.