SCHEMBL577354

SCHEMBL577354

c1ccc(C2=N[N]N=C2c2nccs2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.63
CYP2A6 P11509 1/20 0.47
KDR P35968 1/20 0.41
RAB9A P51151 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
ADRB2 P07550 1/20 0.37
GRM5 P41594 1/20 0.36
KAT6A Q92794 1/20 0.36
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
HDAC2 Q92769 2/20 0.35
MAT2A P31153 1/20 0.35
HSP90AA1 P07900 1/20 0.35
METAP1 P53582 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MEN1 O00255 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
SCHEMBL577583 0.79 GABRA1 (0.44) PDPK1RAB9ALOXL2ADRB2GAA
2-Phenylthiazole SCHEMBL70646 0.78 PDPK1 (1.00) PDPK1CYP2A6KDRRAB9ALOXL2
2-Phenylthiazole SCHEMBL10519953 0.77 PDPK1 (0.95) PDPK1CYP2A6KDRRAB9ALOXL2
2-Phenylthiazole SCHEMBL28319382 0.77 PDPK1 (0.95) PDPK1CYP2A6KDRRAB9ALOXL2
2-Phenylthiazole SCHEMBL10667585 0.77 PDPK1 (0.95) PDPK1CYP2A6KDRRAB9ALOXL2
2-Phenylthiazole SCHEMBL27882225 0.77 PDPK1 (0.95) PDPK1CYP2A6KDRRAB9ALOXL2
2-Phenylthiazole SCHEMBL4939218 0.77 PDPK1 (0.95) PDPK1CYP2A6KDRRAB9ALOXL2
SCHEMBL576916 0.76 ALDH1A1 (0.47) RAB9AMEN1NPC1ALDH1A1LMNA
SCHEMBL5147639 0.75 PDPK1 (0.91) PDPK1CYP2A6KDRRAB9ALOXL2
2-Phenylthiazole SCHEMBL3034058 0.73 PDPK1 (0.88) PDPK1CYP2A6KDRRAB9ALOXL2

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 PDPK1 2431/4885CYP2A6 1199/4885KDR 4511/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDPK1 2431/4885CYP2A6 1199/4885KDR 4511/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDPK1 2431/4885CYP2A6 1199/4885KDR 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.