SCHEMBL3608230

SCHEMBL3608230

CC(=O)c1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nccn23)nc1NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 3/20 0.38
GSK3B P49841 5/20 0.36
DPP4 P27487 1/20 0.33
MAPT P10636 2/20 0.33
GCGR P47871 1/20 0.33
SYK P43405 3/20 0.32
CDK1 P06493 2/20 0.32
GSK3A P49840 2/20 0.32
CDC7 O00311 1/20 0.32
PLK4 O00444 1/20 0.32
DYRK3 O43781 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
CSF1R P07333 1/20 0.32
MET P08581 1/20 0.32
KIT P10721 1/20 0.32
PHKG2 P15735 1/20 0.32
CDK2 P24941 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL12680422 0.90 MAP4K2 (0.36) MAP4K2GSK3BMAPTSYKCDK1
SCHEMBL9105999 0.88 GSK3B (0.39) MAP4K2GSK3BDPP4SYKCDK1
Hydrochloric Acid SCHEMBL3611192 0.87 GSK3B (0.38) MAP4K2GSK3BDPP4SYKCDK1
SCHEMBL4555670 0.84 MAP4K2 (0.34) MAP4K2GSK3BSYKCDK1GSK3A
SCHEMBL3609534 0.82 MAP4K2 (0.40) MAP4K2GSK3BDPP4MAPTALPL
SCHEMBL3613066 0.82 GSK3B (0.40) MAP4K2GSK3BDPP4CDK1GSK3A
SCHEMBL3615366 0.81 GSK3B (0.38) MAP4K2GSK3BDPP4SYKCDK1
SCHEMBL3613142 0.81 NPC1 (0.38) MAP4K2GSK3BDPP4MAPTCDK1
SCHEMBL4555435 0.79 GSK3B (0.39) MAP4K2GSK3BDPP4SYKCDK1
Hydrochloric Acid SCHEMBL3598849 0.78 GSK3B (0.39) MAP4K2GSK3BDPP4SYKCDK1

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 4 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-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-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 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-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES TYMP, DPYD, THPO MAP4K2 1001/4885GSK3B 3269/4885DPP4 436/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT MAP4K2 605/4885GSK3B 3009/4885DPP4 497/4885

“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.