SCHEMBL2144580

SCHEMBL2144580

CC1(C)OB(c2ccc3c(c2)ncn3CCNC(=O)O)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CASP1 P29466 2/20 0.41
KMT2A Q03164 2/20 0.39
HDAC1 Q13547 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
POLB P06746 1/20 0.36
DGAT1 O75907 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
NR1I2 O75469 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL2144110 0.91 MTNR1A (0.49) MTNR1AMTNR1BCASP1HIF1AALDH1A1
SCHEMBL3308577 0.86 PRMT5 (0.49) MTNR1AMTNR1BHDAC1NPC1RAB9A
SCHEMBL29520169 0.83 MAPT (0.40) KMT2AHDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL15205597 0.82 TNF (0.45) KMT2AHDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL14250361 0.80 LMNA (0.50) HDAC1NPC1RAB9AALDH1A1MAPT
SCHEMBL18094189 0.80 DGAT1 (0.35) KMT2AHDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL14251023 0.80 NPC1 (0.43) KMT2AHDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL15205958 0.79 EGLN3 (0.35) MTNR1AMTNR1BHDAC1NPC1RAB9A
SCHEMBL17678212 0.79 HDAC1 (0.39) KMT2AHDAC1NPC1RAB9AALDH1A1
SCHEMBL17042215 0.79 MEN1 (0.51) KMT2ANPC1RAB9ASMN1; SMN2MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO 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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MTNR1A 910/4885MTNR1B 977/4885CASP1 490/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MTNR1A 910/4885MTNR1B 977/4885CASP1 490/4885

“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.