SCHEMBL4164802

SCHEMBL4164802

Cc1nc(NCc2ccccc2)sc1C=CC(=O)N(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 4/20 0.43
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 2/20 0.43
NR4A2 P43354 1/20 0.40
SCD O00767 1/20 0.40
LMNA P02545 4/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CDC7 O00311 1/20 0.39
CCNT1 O60563 1/20 0.39

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
SCHEMBL4167886 0.90 NPC1 (0.65) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL1889985 0.87 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL4166886 0.82 RAB9A (0.51) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL2075809 0.81 NPC1 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL4159231 0.80 KDM4E (0.43) NPC1RAB9AALDH1A1KMT2AMAPT
SCHEMBL6362764 0.78 MAPT (0.41) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL4800941 0.77 NPC1 (0.40) NPC1ALDH1A1CDK9
SCHEMBL2075029 0.77 JAK2 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL4163033 0.76 ALDH1A1 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL4164804 0.74 RAB9A (0.63) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A

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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 NPC1 2382/4885RAB9A 2128/4885ALDH1A1 2743/4885

“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.