SCHEMBL3602861

SCHEMBL3602861

NC(CSc1nc(-c2ccc(Cl)cc2Cl)cc2nccn12)OC(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.34
DPP7 Q9UHL4 5/20 0.34
EGLN2 Q96KS0 1/20 0.33
KCNH2 Q12809 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALPL P05186 3/20 0.31
TP53 P04637 1/20 0.31
CFTR P13569 1/20 0.31
UBA1 P22314 1/20 0.31
UBE2E1 P51965 1/20 0.31
SLC2A1 P11166 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL3602860 0.81 DPP4 (0.38) DPP4DPP7EGLN2KCNH2CNR1
SCHEMBL3608002 0.80 DPP4 (0.34) DPP4DPP7EGLN2KCNH2CNR1
SCHEMBL3605363 0.78 DPP4 (0.35) DPP4DPP7EGLN2CNR1CNR2
SCHEMBL10269997 0.76 DPP4 (0.44) DPP4EGLN2HSP90AA1HSP90AB1
SCHEMBL3604561 0.76 EGLN2 (0.44) DPP4EGLN2ALDH1A1HPGDHSP90AA1
SCHEMBL3617050 0.74 LMNA (0.39) DPP4EGLN2CNR1HSD17B10ALDH1A1
Trifluoroacetic Acid SCHEMBL3607999 0.73 DPP4 (0.41) DPP4DPP7EGLN2KCNH2ALPL
SCHEMBL10269998 0.73 IDO1 (0.46) CNR1CNR2HSD17B10ALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL3607995 0.72 DPP4 (0.45) DPP4DPP7EGLN2KCNH2ALPL
SCHEMBL4553917 0.72 DPP4 (0.34) DPP4EGLN2CNR1CNR2ALPL

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 DPP4 436/4885DPP7 1082/4885EGLN2 1710/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT DPP4 497/4885DPP7 1030/4885EGLN2 2683/4885

“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.