SCHEMBL3609534

SCHEMBL3609534

O=C(O)NCCNc1nc(-c2ccc(Cl)cc2Cl)cc2nccn12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
DPP4 P27487 1/20 0.39
ALPL P05186 8/20 0.38
ALPG P10696 1/20 0.38
NPC1 O15118 1/20 0.36
DHODH Q02127 1/20 0.36
GSK3B P49841 2/20 0.36
MAPT P10636 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
CNR1 P21554 1/20 0.35
MARS1 P56192 1/20 0.35

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
SCHEMBL3603979 0.87 ALPL (0.43) MAP4K2EGLN2DPP4ALPLALPG
SCHEMBL10269994 0.86 IDO1 (0.41) MAP4K2MAPTCNR1
SCHEMBL3608864 0.85 EGLN2 (0.41) MAP4K2EGLN2DPP4ALPLALPG
SCHEMBL10270149 0.85 DPP4 (0.43) MAP4K2EGLN2DPP4NPC1GSK3B
Trifluoroacetic Acid SCHEMBL3605360 0.84 DPP4 (0.38) MAP4K2EGLN2DPP4ALPLALPG
SCHEMBL4554539 0.84 MAP4K2 (0.38) MAP4K2EGLN2DPP4ALPLALPG
SCHEMBL3608230 0.82 MAP4K2 (0.38) MAP4K2DPP4ALPLGSK3BMAPT
SCHEMBL3613066 0.82 GSK3B (0.40) MAP4K2EGLN2DPP4ALPLALPG
SCHEMBL3603724 0.82 ALPL (0.41) MAP4K2EGLN2DPP4ALPLNPC1
SCHEMBL3617050 0.82 LMNA (0.39) EGLN2DPP4ALPLALPGNPC1

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 1001/4885EGLN2 1710/4885DPP4 436/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT MAP4K2 605/4885EGLN2 2683/4885DPP4 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.