SCHEMBL3617050

SCHEMBL3617050

O=C(O)NCCSc1nc(-c2ccc(Cl)cc2Cl)cc2nccn12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
DPP4 P27487 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
ALPL P05186 6/20 0.37
ALPG P10696 1/20 0.37
CNR1 P21554 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DHODH Q02127 1/20 0.35
TP53 P04637 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
SCHEMBL10269998 0.86 IDO1 (0.46) LMNASMN1; SMN2NPC1RAB9AALPL
SCHEMBL10269997 0.84 DPP4 (0.44) LMNASMN1; SMN2NPC1RAB9ADPP4
Trifluoroacetic Acid SCHEMBL3602860 0.83 DPP4 (0.38) SMN1; SMN2DPP4EGLN2ALPLCNR1
SCHEMBL3604561 0.82 EGLN2 (0.44) LMNASMN1; SMN2NPC1RAB9ADPP4
SCHEMBL3609534 0.82 MAP4K2 (0.40) NPC1DPP4EGLN2ALPLALPG
SCHEMBL4553917 0.81 DPP4 (0.34) LMNASMN1; SMN2NPC1DPP4EGLN2
SCHEMBL10270305 0.78 GSK3B (0.52) LMNADPP4EGLN2MAPTHTT
SCHEMBL3606571 0.77 GSK3B (0.48) DPP4EGLN2MAPT
SCHEMBL3603724 0.74 ALPL (0.41) LMNANPC1RAB9ADPP4EGLN2
SCHEMBL3602861 0.74 DPP4 (0.34) DPP4EGLN2ALPLCNR1ALDH1A1

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 LMNA 4505/4885SMN1; SMN2 1461/4885NPC1 2982/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT LMNA 3887/4885SMN1; SMN2 1085/4885NPC1 2602/4885

“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.