SCHEMBL4797009

SCHEMBL4797009

CC(=O)c1sc(N(C)C)nc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 7/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
NT5E P21589 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41

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
Bromide SCHEMBL6123463 0.98 SMN1; SMN2 (0.44) RXFP1CYP1A2GAACYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL6113899 0.98 RXFP1 (0.44) RXFP1CYP1A2GAACYP2C9ALDH1A1
SCHEMBL6761935 0.84 ALDH1A1 (0.55) GAAALDH1A1RAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8552956 0.82 ALDH1A1 (0.53) GAAALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3067153 0.82 ALDH1A1 (0.40) GAAALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL10663982 0.82 ALDH1A1 (0.43) RXFP1CYP1A2GAACYP2C9ALDH1A1
SCHEMBL4326584 0.79 ALDH1A1 (0.43) RXFP1CYP1A2GAACYP2C9ALDH1A1
SCHEMBL8737715 0.79 ALDH1A1 (0.46) RXFP1CYP1A2GAACYP2C9ALDH1A1
SCHEMBL6127601 0.78 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL6114380 0.78 ALDH1A1 (0.45) RXFP1CYP1A2GAACYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
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
EP-1581231-A1 ANTI-VIRAL COMPOUNDS Cyclacel Limited (GB) 2005-10-05 EP 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
EP-1430051-A1 N-(4-(4-METHYLTHIAZOL-5-YL)PYRIMIDIN-2-YL)-N-PHENYLAMINES AS ANTIPROLIFERATIVE COMPOUNDS Cyclacel Limited (GB) 2004-06-23 EP disclosed
WO-2004043467-A1 ANTI-VIRAL COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO disclosed
WO-2003029248-A1 N-(4-(4-METHYLTHIAZOL-5-YL) PYRIMIDIN-2-YL) -N-PHENYLAMINES AS ANTIPROLIFERATIVE COMPOUNDS CYCLACEL LIMITED (GB) 2003-04-10 WO 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 (4 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 RXFP1 4857/4885CYP1A2 2233/4885GAA 2346/4885
US-20060199830-A1 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CDK4, CDK2, CCNI RXFP1 4860/4885CYP1A2 2305/4885GAA 2437/4885
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, MMP2 RXFP1 330/4885CYP1A2 1901/4885GAA 2635/4885
US-20050288307-A1 Anti-viral compounds MAVS, HAVCR2, EIF2AK2 RXFP1 4855/4885CYP1A2 2209/4885GAA 275/4885

“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.