SCHEMBL3603724

SCHEMBL3603724

CC(CNC(=O)O)Nc1nc(-c2ccc(Cl)cc2Cl)cc2nccn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 5/20 0.41
MAP4K2 Q12851 1/20 0.40
DPP4 P27487 2/20 0.38
SHMT1 P34896 2/20 0.37
SHMT2 P34897 2/20 0.37
EGLN2 Q96KS0 1/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
SLC2A1 P11166 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
PPARG P37231 1/20 0.34
KMT2A Q03164 1/20 0.34
NCOA1 Q15788 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
RAB9A P51151 1/20 0.34
DPP8 Q6V1X1 1/20 0.34

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
SCHEMBL10269893 0.87 PCSK9 (0.39) ALPLMAP4K2MAPT
SCHEMBL10270527 0.85 DPP4 (0.43) ALPLMAP4K2DPP4EGLN2NPC1
SCHEMBL3609534 0.82 MAP4K2 (0.40) ALPLMAP4K2DPP4EGLN2NPC1
SCHEMBL4438496 0.80 DPP4 (0.36) ALPLMAP4K2DPP4EGLN2NPC1
SCHEMBL3604650 0.78 GSK3B (0.43) ALPLDPP4EGLN2MAPTCRHR1
SCHEMBL12680654 0.77 GSK3B (0.47) ALPLMAP4K2DPP4MAPTMEN1
SCHEMBL14079625 0.76 GSK3B (0.39) ALPLMAP4K2DPP4EGLN2NPC1
SCHEMBL3603979 0.75 ALPL (0.43) ALPLMAP4K2DPP4EGLN2NPC1
SCHEMBL3608387 0.75 PIK3CA (0.34) ALPLMAP4K2DPP4EGLN2HSP90AA1
SCHEMBL4554539 0.75 MAP4K2 (0.38) ALPLMAP4K2DPP4SHMT1SHMT2

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 ALPL 817/4885MAP4K2 1001/4885DPP4 436/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT ALPL 466/4885MAP4K2 605/4885DPP4 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.