SCHEMBL578100

SCHEMBL578100

COc1ncc(C2=N[N]N=C2c2ccccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
CASP1 P29466 1/20 0.40
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
FTO Q9C0B1 1/20 0.38
FYN P06241 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP1A2 P05177 2/20 0.38
KCNA5 P22460 1/20 0.37
KCNH2 Q12809 1/20 0.37
PIK3CA P42336 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL577613 0.79 HSD17B1 (0.49) KMT2AMEN1PDGFRBPDGFRAFYN
SCHEMBL16225052 0.76 ALOX5AP (0.49) MAPTKMT2AMEN1TSHRATM
SCHEMBL576916 0.76 ALDH1A1 (0.47) MAPTKMT2AMEN1ATMALDH1A1
SCHEMBL8205476 0.69 ALDH1A1 (0.48) MAPTKMT2AMEN1TSHRATM
SCHEMBL11798458 0.67 NPC1 (0.58) MAPTALDH1A1NPC1RAB9ASCN2A
SCHEMBL13509083 0.67 ALDH1A1 (0.43) MAPTKMT2AMEN1TSHRATM
SCHEMBL13510686 0.67 ALDH1A1 (0.43) MAPTKMT2AMEN1TSHRATM
SCHEMBL11267570 0.67 MAPT (0.53) MAPTKMT2AMEN1TSHRATM
SCHEMBL28788981 0.67 FYN (0.59) PDGFRBPDGFRAFYNALDH1A1HSD17B10
SCHEMBL5964910 0.66 L3MBTL1 (0.38) MAPTKMT2AMEN1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 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 (3 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 MAPT 3077/4885KMT2A 4323/4885MEN1 3502/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 MAPT 3077/4885KMT2A 4323/4885MEN1 3502/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 MAPT 3077/4885KMT2A 4323/4885MEN1 3502/4885

“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.