SCHEMBL3384302

SCHEMBL3384302

Nc1nc(NC2CCNCC2)sc1C(=O)c1cccc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 10/20 1.00
CDK5R1 Q15078 10/20 1.00
CCNA2 P20248 9/20 0.70
CDK2 P24941 9/20 0.70
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL3388457 0.91 CDK5 (0.83) CDK5CDK5R1CCNA2CDK2TP53
SCHEMBL3388436 0.89 CDK5 (0.80) CDK5CDK5R1CCNA2CDK2
SCHEMBL3384293 0.86 CDK5 (0.76) CDK5CDK5R1CCNA2CDK2MAPT
SCHEMBL3386683 0.85 CDK5 (0.74) CDK5CDK5R1CCNA2CDK2MEN1
SCHEMBL3386774 0.84 CDK5 (0.72) CDK5CDK5R1CCNA2CDK2TP53
SCHEMBL3384847 0.82 CDK5 (0.70) CDK5CDK5R1CCNA2CDK2
SCHEMBL28765718 0.82 CDK5 (0.69) CDK5CDK5R1CCNA2CDK2TP53
SCHEMBL3382774 0.81 CDK5 (0.68) CDK5CDK5R1CCNA2CDK2LMNA
SCHEMBL27686737 0.81 CDK5 (0.68) CDK5CDK5R1CCNA2CDK2TP53
SCHEMBL6608787 0.80 CDK5 (0.67) CDK5CDK5R1CCNA2CDK2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771424-B1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-15 EP claimed
CN-1976910-B 2, 4-diaminothiazol-5-one derivatives HOFFMANN LA ROCHE 2010-07-21 CN claimed
US-7423053-B2 4-Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-09 US claimed
CN-1976910-A Novel 2, 4-diaminothiazol-5-one derivatives HOFFMANN LA ROCHE (CH) 2007-06-06 CN claimed
EP-1771424-A1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-11 EP claimed
WO-2006005508-A1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO claimed
US-20060014958-A1 4-Aminothiazole derivatives CHEN LI 2006-01-19 US claimed
EP-1771424-B1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-15 EP disclosed
EP-1771424-B1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-15 EP disclosed
CN-1976910-B 2, 4-diaminothiazol-5-one derivatives HOFFMANN LA ROCHE 2010-07-21 CN disclosed
US-7423053-B2 4-Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-09 US disclosed
US-7423053-B2 4-Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-09 US disclosed
US-7423053-B2 4-Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-09 US disclosed
CN-1976910-A Novel 2, 4-diaminothiazol-5-one derivatives HOFFMANN LA ROCHE (CH) 2007-06-06 CN disclosed
EP-1771424-A1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-11 EP disclosed
WO-2006005508-A1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO disclosed
US-20060014958-A1 4-Aminothiazole derivatives CHEN LI 2006-01-19 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-20060014958-A1 4-Aminothiazole derivatives CDK4, CDK2, CCNI CDK5 19/4885CDK5R1 49/4885CCNA2 30/4885

“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.