SCHEMBL4800670

SCHEMBL4800670

COc1nc(C)c(C(=O)C=CN(C)C)s1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 2/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 8/20 0.51
POLB P06746 2/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
RECQL P46063 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL20452151 1.00 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL29580250 0.81 ALDH1A1 (0.49) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL14955176 0.81 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL2076090 0.81 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL28499125 0.80 ALDH1A1 (0.48) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL20452073 0.78 ALDH1A1 (0.58) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL4159119 0.78 ALDH1A1 (0.58) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL15525132 0.76 ALDH1A1 (0.59) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL18453943 0.76 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL18453946 0.76 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1

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 5 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
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-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 (2 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 2719/4885RAB9A 4076/4885SMN1; SMN2 2905/4885
US-20060199830-A1 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CDK4, CDK2, CCNI ALDH1A1 2858/4885RAB9A 4034/4885SMN1; SMN2 3007/4885

“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.