SCHEMBL4159233

SCHEMBL4159233

Cc1nc(N(C)Cc2ccccc2)sc1C(=O)C=CN(C)C

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.65
RAB9A P51151 6/20 0.65
NPC1 O15118 6/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.65
MAPT P10636 8/20 0.54
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
LMNA P02545 4/20 0.44
ATM Q13315 1/20 0.44
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 3/20 0.43

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
SCHEMBL20452290 0.81 ALDH1A1 (0.65) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4161633 0.81 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4164804 0.80 RAB9A (0.63) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4159119 0.78 ALDH1A1 (0.58) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL20452073 0.78 ALDH1A1 (0.58) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4167891 0.77 NPC1 (0.71) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4159231 0.74 KDM4E (0.43) ALDH1A1RAB9ANPC1KMT2AMAPT
SCHEMBL4166890 0.73 RAB9A (0.64) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL20452082 0.73 RAB9A (0.64) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5163250 0.73 ALDH1A1 (0.50) ALDH1A1RAB9ANPC1SMN1; 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 ALDH1A1 2743/4885RAB9A 2128/4885NPC1 2382/4885

“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.