SCHEMBL4172293

SCHEMBL4172293

Cc1nc(NC(C)(C)C)sc1C(=O)C=CN(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 3/20 0.48
JAK2 O60674 3/20 0.43
EGFR P00533 3/20 0.43
POLB P06746 3/20 0.42
ALOX5 P09917 2/20 0.40
LATS1 O95835 1/20 0.40
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
PIK3CG P48736 1/20 0.37

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
SCHEMBL15525147 0.84 ALDH1A1 (0.59) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL15525132 0.84 ALDH1A1 (0.59) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL2075032 0.84 ALDH1A1 (0.59) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL212100 0.81 LCK (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL20451998 0.81 RAB9A (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL2075811 0.81 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL20451992 0.81 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL6362765 0.77 ALDH1A1 (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL4800949 0.77 ALDH1A1 (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL14955176 0.77 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A

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 2128/4885SMN1; SMN2 2335/4885

“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.