SCHEMBL6607604

SCHEMBL6607604

CN1CCN(CCCNc2nc(N)c(C(=O)c3ccc(Cl)s3)s2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.64
MAPK1 P28482 2/20 0.64
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
NPC1 O15118 1/20 0.64
MAPT P10636 1/20 0.64
BRCA1 P38398 1/20 0.64
HTT P42858 1/20 0.64
RAB9A P51151 1/20 0.64
CDK5R1 Q15078 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CCNA2 P20248 3/20 0.58
CDK2 P24941 3/20 0.58
CDK9 P50750 15/20 0.49
CCNT1 O60563 14/20 0.49
CDK4 P11802 14/20 0.49
CCND1 P24385 14/20 0.49
CDK6 Q00534 14/20 0.49
CDK11A Q9UQ88 13/20 0.49
CLK2 P49760 2/20 0.47

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
SCHEMBL6611369 0.82 CDK5 (0.72) CDK5MAPK1KMT2AMEN1NPC1
SCHEMBL6603770 0.82 KMT2A (0.58) CDK5MAPK1KMT2AMEN1NPC1
SCHEMBL6617607 0.76 CDK5 (0.62) CDK5MAPK1KMT2AMEN1NPC1
SCHEMBL6605716 0.73 CDK5 (0.52) CDK5MAPK1KMT2AMAPTHTT
SCHEMBL7756151 0.73 KMT2A (0.71) CDK5MAPK1KMT2AMEN1NPC1
SCHEMBL7753417 0.69 CCNA2 (0.68) CDK5MAPK1KMT2AMEN1NPC1
SCHEMBL7432625 0.67 KMT2A (0.56) MAPK1KMT2AMEN1MAPTGSK3B
SCHEMBL4257980 0.66 FPR3 (0.45) KMT2AMAPTHTTLMNA
SCHEMBL6755564 0.65 CDK5 (0.56) CDK5MAPK1KMT2AMEN1NPC1
SCHEMBL20618526 0.62 KMT2A (0.74) MAPK1KMT2AMEN1RAB9ASMN1; SMN2

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 CDK5 749/4885MAPK1 189/4885KMT2A 2788/4885

“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.