SCHEMBL577441

SCHEMBL577441

Brc1cccc(C2=N[N]N=N2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
IDO1 P14902 2/20 0.41
METAP2 P50579 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
DCUN1D1 Q96GG9 2/20 0.40
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
ALOX15 P16050 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
SCHEMBL27648776 0.76 NOTUM (0.42) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL4146528 0.76 TAAR1 (0.42) MEN1KMT2AIDO1MAPTCHRNB4
SCHEMBL29215016 0.74 ALDH1A1 (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL15556382 0.73 PTGDR2 (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL312091 0.72 ALDH1A1 (0.52) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL29546450 0.72 ALDH1A1 (0.52) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL191276 0.70 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL15624388 0.70 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2TSHRTP53
Water SCHEMBL28248751 0.70 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL29398919 0.70 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2TSHRTP53

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 RAB9A 2215/4885NPC1 427/4885SMN1; SMN2 2642/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RAB9A 2215/4885NPC1 427/4885SMN1; SMN2 2642/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RAB9A 2215/4885NPC1 427/4885SMN1; SMN2 2642/4885

“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.