SCHEMBL3615366

SCHEMBL3615366

COC(=O)c1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nccn23)nc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.38
GSK3A P49840 4/20 0.38
CDK1 P06493 3/20 0.38
MAP4K2 Q12851 5/20 0.37
ALPL P05186 2/20 0.37
SYK P43405 4/20 0.36
MAP4K4 O95819 2/20 0.36
PKN2 Q16513 2/20 0.36
AURKB Q96GD4 2/20 0.36
SLK Q9H2G2 2/20 0.36
AURKA O14965 1/20 0.36
JAK2 O60674 1/20 0.36
INSR P06213 1/20 0.36
LCK P06239 1/20 0.36
LYN P07948 1/20 0.36
RET P07949 1/20 0.36
ROS1 P08922 1/20 0.36
SRC P12931 1/20 0.36
FER P16591 1/20 0.36
KDR P35968 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
SCHEMBL3613142 0.93 NPC1 (0.38) GSK3BGSK3ACDK1MAP4K2CDC7
SCHEMBL9105999 0.92 GSK3B (0.39) GSK3BGSK3ACDK1MAP4K2ALPL
Hydrochloric Acid SCHEMBL3611192 0.91 GSK3B (0.38) GSK3BGSK3ACDK1MAP4K2ALPL
SCHEMBL4555435 0.88 GSK3B (0.39) GSK3BGSK3ACDK1MAP4K2ALPL
Hydrochloric Acid SCHEMBL3598849 0.87 GSK3B (0.39) GSK3BGSK3ACDK1MAP4K2ALPL
SCHEMBL12680846 0.85 ALPL (0.37) GSK3BGSK3ACDK1ALPLCNR1
SCHEMBL10270316 0.83 GSK3B (0.46) GSK3BGSK3AMAP4K2ALPLSYK
SCHEMBL10270002 0.82 GSK3B (0.56) GSK3BGSK3ACDK1MAP4K2STK17A
SCHEMBL3610032 0.81 GSK3B (0.43) GSK3BGSK3ACDK1SLKCNR1
SCHEMBL3608230 0.81 MAP4K2 (0.38) GSK3BGSK3ACDK1MAP4K2ALPL

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
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
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
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 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-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES TYMP, DPYD, THPO GSK3B 3269/4885GSK3A 3185/4885CDK1 1050/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT GSK3B 3009/4885GSK3A 2953/4885CDK1 818/4885

“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.