SCHEMBL577934

SCHEMBL577934

FC(F)(F)Oc1ccc(C2=N[N]N=C2c2ccccc2)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
METAP2 P50579 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
LTA4H P09960 1/20 0.32
DYRK1A Q13627 1/20 0.32
NPY5R Q15761 1/20 0.32
GABRA5 P31644 1/20 0.31
KDR P35968 1/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KIF11 P52732 1/20 0.31
SCN2A Q99250 2/20 0.31

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 0.80 HSD17B1 (0.49) KDRNPC1HSD17B1HSD17B2KMT2A
SCHEMBL8206858 0.72 KDM4E (0.41) CHRM5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13509090 0.71 ATP1A1 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19DYRK1A
SCHEMBL13510722 0.71 GABRA5 (0.37) CHRM5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13680445 0.70 HSD17B1 (0.46) KDRSCN2AHSD17B1HSD17B2CTSD
SCHEMBL576916 0.70 ALDH1A1 (0.47) CYP1A2CYP3A4GABRA5NPC1NFKB1
SCHEMBL578100 0.66 MAPT (0.42) CYP1A2NPC1NFKB1RAB9ANFKB2
SCHEMBL13680477 0.66 CYP2A6 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19METAP2
SCHEMBL31375488 0.66 KDR (0.40) CHRM5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9156095 0.66 KDR (0.40) CHRM5CYP1A2CYP3A4CYP2C9CYP2C19

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 CHRM5 4842/4885CYP1A2 744/4885CYP3A4 353/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CHRM5 4842/4885CYP1A2 744/4885CYP3A4 353/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CHRM5 4842/4885CYP1A2 744/4885CYP3A4 353/4885

“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.