SCHEMBL6603770

SCHEMBL6603770

Nc1nc(NCCCN2CCCC2=O)sc1C(=O)c1ccc(Cl)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
RAB9A P51151 4/20 0.58
MEN1 O00255 3/20 0.58
CDK5 Q00535 2/20 0.58
MAPK1 P28482 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 1/20 0.58
MAPT P10636 1/20 0.58
BRCA1 P38398 1/20 0.58
HTT P42858 1/20 0.58
CDK5R1 Q15078 1/20 0.58
CCNA2 P20248 2/20 0.55
CDK2 P24941 2/20 0.55
RXFP1 Q9HBX9 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CLK2 P49760 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CDK9 P50750 1/20 0.42
LIMK1 P53667 1/20 0.42

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
SCHEMBL6607604 0.82 CDK5 (0.64) KMT2ARAB9AMEN1CDK5MAPK1
SCHEMBL6611369 0.80 CDK5 (0.72) KMT2ARAB9AMEN1CDK5MAPK1
SCHEMBL6617607 0.72 CDK5 (0.62) KMT2ARAB9AMEN1CDK5MAPK1
SCHEMBL7753417 0.69 CCNA2 (0.68) KMT2ARAB9AMEN1CDK5MAPK1
SCHEMBL7756151 0.68 KMT2A (0.71) KMT2ARAB9AMEN1CDK5MAPK1
SCHEMBL6193441 0.68 CCNT1 (0.55) KMT2ACDK5CCNA2CDK2CLK2
SCHEMBL15757257 0.67 CYP2C19 (0.49) KMT2ARAB9AMEN1MAPK1SMN1; SMN2
SCHEMBL5803203 0.67 GSK3B (0.49) KMT2ARAB9AMEN1MAPK1SMN1; SMN2
SCHEMBL7485927 0.65 KMT2A (0.48) KMT2ARAB9AMEN1MAPK1SMN1; SMN2
SCHEMBL3989809 0.65 MALT1 (0.54) KMT2ARAB9AMEN1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040210063-A1 Novel 2,4-diaminothiazole derivatives NOVO NORDISK A/S (DK) 2004-10-21 US disclosed
EP-1417188-A1 NOVEL 2,4-DIAMINOTHIAZOLE DERIVATIVES Novo Nordisk A/S (DK) 2004-05-12 EP disclosed
WO-2003011843-A1 NOVEL 2,4-DIAMINOTHIAZOLE DERIVATIVES NOVO NORDISK A/S (DK) 2003-02-13 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-20040210063-A1 Novel 2,4-diaminothiazole derivatives GSK3B, GSK3A, GYS2 KMT2A 2788/4885RAB9A 4390/4885MEN1 3597/4885

“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.