SCHEMBL6405893

SCHEMBL6405893

CCC(=O)Nc1nc(C)c(C(=O)Nc2ccc(C)c(C)c2C)s1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
POLB P06746 1/20 0.57
MAPK14 Q16539 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
SCD O00767 1/20 0.46
RXFP1 Q9HBX9 2/20 0.46
LCK P06239 1/20 0.45
THRB P10828 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL7196184 0.87 L3MBTL1 (0.54) KMT2AMEN1MAPK14L3MBTL1SMN1; SMN2
SCHEMBL6105158 0.85 L3MBTL1 (0.54) KMT2AMEN1MAPK14L3MBTL1SMN1; SMN2
SCHEMBL3597783 0.84 KMT2A (0.61) KMT2AMEN1POLBMAPK14L3MBTL1
Benzene SCHEMBL6488418 0.79 MAPK14 (0.55) KMT2AMEN1POLBMAPK14L3MBTL1
SCHEMBL1540156 0.78 LCK (0.74) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL19724720 0.77 ALDH1A1 (0.59) KMT2AMEN1POLBSMN1; SMN2ALDH1A1
SCHEMBL3577082 0.77 ALDH1A1 (0.62) KMT2AMEN1POLBSMN1; SMN2ALDH1A1
SCHEMBL28508629 0.74 ALDH1A1 (0.77) KMT2AMEN1POLBL3MBTL1SMN1; SMN2
SCHEMBL3584809 0.73 SCD (0.82) KMT2AMEN1POLBSMN1; SMN2ALDH1A1
SCHEMBL19724843 0.72 SCD (0.66) KMT2AMEN1POLBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288303-A1 Orally administering N-(2-chloro-6-methylphenyl)-2-[4-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-6-ylamino]thiazole-5-carboxamide for treating cancer BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 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-20050288303-A1 Orally administering N-(2-chloro-6-methylphenyl)-2-[4-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-6-ylamino]thiazole-5-carboxamide for treating cancer LCK, ERBB2, JAK2 KMT2A 353/4885MEN1 2840/4885POLB 3213/4885

“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.