SCHEMBL4800949

SCHEMBL4800949

CCCCNc1nc(C)c(C(=O)C=CN(C)C)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.46
CLK2 P49760 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK9 P50750 1/20 0.44
LIMK1 P53667 1/20 0.44
CDK5 Q00535 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
JAK2 O60674 3/20 0.41
EGFR P00533 3/20 0.41
TSHR P16473 1/20 0.40
LCK P06239 1/20 0.40

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
SCHEMBL2075811 0.88 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL20451992 0.88 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4163037 0.84 ALDH1A1 (0.66) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6362765 0.82 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2075032 0.81 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL15525147 0.81 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL15525132 0.81 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4167891 0.80 NPC1 (0.71) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4164804 0.78 RAB9A (0.63) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4172293 0.77 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427627-B2 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2008-09-23 US disclosed
US-7388015-B2 N-(4-(4-methylthiazol-5-yl)pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2008-06-17 US disclosed
EP-1760082-A1 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as anti-proliferative compounds Cyclacel Limited (GB) 2007-03-07 EP disclosed
EP-1430051-B1 N-(4-(4-METHYLTHIAZOL-5-YL)PYRIMIDIN-2-YL)-N-PHENYLAMINES AS ANTIPROLIFERATIVE COMPOUNDS CYCLACEL LTD (GB) 2006-12-27 EP disclosed
US-20060199830-A1 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2006-09-07 US disclosed
US-20050288307-A1 Anti-viral compounds CYCLACEL LIMITED (GB) 2005-12-29 US disclosed
US-20040259894-A1 N-(4-(4-methylthiazol-5-yl)pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2004-12-23 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 (3 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-20040259894-A1 N-(4-(4-methylthiazol-5-yl)pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CDK4, CDK2, CDKL4 ALDH1A1 2719/4885NPC1 3372/4885RAB9A 4076/4885
US-20060199830-A1 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CDK4, CDK2, CCNI ALDH1A1 2858/4885NPC1 3372/4885RAB9A 4034/4885
US-20050288307-A1 Anti-viral compounds MAVS, HAVCR2, EIF2AK2 ALDH1A1 2550/4885NPC1 525/4885RAB9A 1648/4885

“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.