SCHEMBL4468574

SCHEMBL4468574

COC(=O)c1sc(Nc2ccccc2)nc1N

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.72
RAB9A P51151 5/20 0.72
HPGD P15428 3/20 0.72
MAPT P10636 5/20 0.69
CDK5 Q00535 5/20 0.69
CDK5R1 Q15078 5/20 0.69
LMNA P02545 2/20 0.69
TP53 P04637 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
CCNA2 P20248 8/20 0.68
CDK2 P24941 8/20 0.68
GSK3B P49841 2/20 0.68
GSK3A P49840 1/20 0.68
MAPK14 Q16539 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
CHRNA7 P36544 1/20 0.56
DHODH Q02127 1/20 0.54

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
SCHEMBL7759391 0.87 NPC1 (0.70) NPC1RAB9AHPGDMAPTCDK5
SCHEMBL1250529 0.85 NPC1 (0.72) NPC1RAB9AHPGDMAPTCDK5
SCHEMBL7753436 0.85 CCNA2 (0.76) NPC1RAB9AHPGDMAPTCDK5
SCHEMBL7757552 0.85 CCNA2 (0.76) NPC1RAB9AHPGDMAPTCDK5
SCHEMBL4479010 0.84 GSK3A (0.69) NPC1RAB9AHPGDMAPTCDK5
SCHEMBL4479206 0.83 CCNA2 (0.77) CDK5CDK5R1CCNA2CDK2GSK3B
SCHEMBL1250849 0.82 CDK5 (1.00) NPC1RAB9AMAPTCDK5CDK5R1
SCHEMBL7753445 0.82 MAPT (0.61) NPC1RAB9AHPGDMAPTCDK5
SCHEMBL4558262 0.82 MAPT (0.67) NPC1RAB9AHPGDMAPTCDK5
SCHEMBL7756942 0.82 MAPT (1.00) NPC1RAB9AHPGDMAPTCDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605154-B2 ATP-protein kinase inhibitors; cytomegalovirus; contraceptive agents; cancer; N7-(3-ethynyl-phenyl)-N2-(4-piperidin-1-ylmethyl-phenyl)-thiazolo[4,5-d]pyrimidine-2,7-diamine JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-20 US disclosed
US-7605154-B2 ATP-protein kinase inhibitors; cytomegalovirus; contraceptive agents; cancer; N7-(3-ethynyl-phenyl)-N2-(4-piperidin-1-ylmethyl-phenyl)-thiazolo[4,5-d]pyrimidine-2,7-diamine JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-20 US disclosed
US-7605154-B2 ATP-protein kinase inhibitors; cytomegalovirus; contraceptive agents; cancer; N7-(3-ethynyl-phenyl)-N2-(4-piperidin-1-ylmethyl-phenyl)-thiazolo[4,5-d]pyrimidine-2,7-diamine JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-20 US disclosed
EP-1912639-A2 THIAZOLOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-23 EP disclosed
US-20070185139-A1 Thiazolopyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-09 US disclosed
US-20070185139-A1 Thiazolopyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-09 US disclosed
US-20070185139-A1 Thiazolopyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-09 US disclosed
WO-2007019191-A2 THIAZOLOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-15 WO disclosed
WO-2007019191-A2 THIAZOLOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-15 WO disclosed
US-20010039275-A1 Use of 2,4-diaminothiazole derivatives NOVO NORDISK A/S (DK) 2001-11-08 US disclosed
WO-2001056567-A1 2,4-DIAMINOTHIAZOLE DERIVATIVES AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 (GSK-3) INHIBITORS NOVO NORDISK A/S (DK) 2001-08-09 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 (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-20070185139-A1 Thiazolopyrimidine kinase inhibitors ABL1, MAP3K19, PI4KB NPC1 2373/4885RAB9A 3220/4885HPGD 2721/4885
US-20010039275-A1 Use of 2,4-diaminothiazole derivatives GSK3A, GSK3B, GSKIP NPC1 797/4885RAB9A 4452/4885HPGD 1738/4885

“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.