SCHEMBL577613

SCHEMBL577613

COc1ccc(C2=N[N]N=C2c2ccccc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
KDR P35968 2/20 0.47
CYP2A6 P11509 2/20 0.45
OXTR P30559 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GRM5 P41594 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
ATR Q13535 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
CYP19A1 P11511 1/20 0.41
MAT2A P31153 1/20 0.40
FYN P06241 1/20 0.40
CHEK1 O14757 1/20 0.40

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
SCHEMBL1422182 0.82 HSD17B1 (0.67) HSD17B1HSD17B2KDRCYP2A6OXTR
SCHEMBL577934 0.80 CHRM5 (0.34) HSD17B1HSD17B2KDRKMT2ANPC1
SCHEMBL578100 0.79 MAPT (0.42) MEN1KMT2AGRM5NPC1PDGFRB
SCHEMBL31174412 0.75 CYP2A6 (0.68) HSD17B1HSD17B2CYP2A6MKNK1MKNK2
SCHEMBL3754419 0.75 CYP2A6 (0.68) HSD17B1HSD17B2CYP2A6MKNK1MKNK2
SCHEMBL576916 0.73 ALDH1A1 (0.47) MEN1KMT2ANPC1LMNAL3MBTL1
SCHEMBL8502934 0.72 HSD17B1 (0.55) HSD17B1HSD17B2KDRCYP2A6OXTR
SCHEMBL8215862 0.71 KDR (0.48) HSD17B1HSD17B2KDRCYP2A6OXTR
SCHEMBL1422588 0.70 CYP19A1 (0.65) HSD17B1HSD17B2CYP2A6MEN1KMT2A
SCHEMBL17004640 0.70 HSD17B1 (0.52) HSD17B1HSD17B2KDRCYP2A6OXTR

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 HSD17B1 840/4885HSD17B2 1405/4885KDR 4511/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 HSD17B1 840/4885HSD17B2 1405/4885KDR 4511/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 HSD17B1 840/4885HSD17B2 1405/4885KDR 4511/4885

“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.