SCHEMBL6609299

SCHEMBL6609299

NCCNc1nc(N)c(C(=O)C2CC2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.56
CCNA2 P20248 11/20 0.46
CDK2 P24941 11/20 0.46
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CDK5 Q00535 3/20 0.41
CLK2 P49760 1/20 0.41
GSK3A P49840 1/20 0.41
CDK9 P50750 1/20 0.41
LIMK1 P53667 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
CDK5R1 Q15078 2/20 0.40
MAPK1 P28482 1/20 0.40
BRCA1 P38398 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
Hydrochloric Acid SCHEMBL3607549 0.99 GSK3B (0.55) GSK3BCCNA2CDK2MAPTL3MBTL1
SCHEMBL6606574 0.92 GSK3B (0.54) GSK3BCCNA2CDK2MAPTL3MBTL1
SCHEMBL3601483 0.85 GSK3B (0.56) GSK3BCCNA2CDK2MAPTL3MBTL1
SCHEMBL10270155 0.79 CCNA2 (0.51) GSK3BCCNA2CDK2MAPTL3MBTL1
SCHEMBL4554916 0.78 GSK3B (0.49) GSK3BCCNA2CDK2MAPTL3MBTL1
SCHEMBL6659931 0.78 GSK3B (0.46) GSK3BCCNA2CDK2MAPTL3MBTL1
SCHEMBL6616768 0.76 GSK3B (0.45) GSK3BCCNA2CDK2MAPTL3MBTL1
SCHEMBL10270734 0.76 MAPT (0.45) GSK3BCCNA2CDK2MAPTL3MBTL1
SCHEMBL6754731 0.72 CDK2 (0.58) GSK3BCCNA2CDK2MAPTL3MBTL1
SCHEMBL1247900 0.72 GSK3B (1.00) GSK3BCCNA2CDK2MAPTCDK5

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-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-8273752-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-25 US disclosed
US-8273752-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-25 US disclosed
EP-2137188-B1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Pharma AG (DE) 2012-06-06 EP disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US disclosed
CN-1547574-A Novel 2, 4-diaminothiazole derivatives ŵ��Ų�ڿ˹�˾ 2004-11-17 CN disclosed
US-20040210063-A1 Novel 2,4-diaminothiazole derivatives NOVO NORDISK A/S (DK) 2004-10-21 US disclosed
EP-1417188-A1 NOVEL 2,4-DIAMINOTHIAZOLE DERIVATIVES Novo Nordisk A/S (DK) 2004-05-12 EP disclosed
WO-2003011843-A1 NOVEL 2,4-DIAMINOTHIAZOLE DERIVATIVES NOVO NORDISK A/S (DK) 2003-02-13 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 (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-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES TYMP, DPYD, THPO GSK3B 3269/4885CCNA2 1120/4885CDK2 307/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT GSK3B 3009/4885CCNA2 1038/4885CDK2 306/4885
US-20040210063-A1 Novel 2,4-diaminothiazole derivatives GSK3B, GSK3A, GYS2 GSK3B 1/4885CCNA2 3517/4885CDK2 507/4885

“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.