SCHEMBL586497

SCHEMBL586497

Cc1nc(-c2ccc3c(c2)C[N]C3)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.55
GAA P10253 4/20 0.55
RECQL P46063 3/20 0.55
HPGD P15428 3/20 0.55
KDM4E B2RXH2 2/20 0.55
POLB P06746 2/20 0.55
ESR2 Q92731 1/20 0.55
TRIM24 O15164 1/20 0.55
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HSD17B10 Q99714 2/20 0.54
MMP12 P39900 1/20 0.53
TSHR P16473 1/20 0.50
CASP3 P42574 1/20 0.49
CASP2 P42575 1/20 0.49
ROCK2 O75116 1/20 0.49
PIM1 P11309 1/20 0.49
GSK3B P49841 1/20 0.49

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
SCHEMBL22334909 0.81 ALDH1A1 (0.65) ALDH1A1MAPTGAARECQLHPGD
SCHEMBL18611250 0.81 ALDH1A1 (0.69) ALDH1A1MAPTGAARECQLHPGD
SCHEMBL329882 0.79 RAB9A (0.56) ALDH1A1MAPTGAARECQLHPGD
SCHEMBL586725 0.77 TYR (0.48) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL1764528 0.74 GAA (0.64) ALDH1A1MAPTGAARECQLHPGD
SCHEMBL12515937 0.73 ALDH1A1 (0.54) ALDH1A1MAPTGAARECQLHPGD
SCHEMBL9095198 0.73 MAPT (0.66) ALDH1A1MAPTGAARECQLHPGD
SCHEMBL19627009 0.73 RAB9A (0.72) ALDH1A1MAPTGAARECQLHPGD
SCHEMBL19626797 0.73 TRIM24 (0.56) ALDH1A1MAPTGAARECQLHPGD
SCHEMBL19626759 0.73 TRIM24 (0.64) ALDH1A1MAPTGAARECQLHPGD

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 ALDH1A1 1913/4885MAPT 3077/4885GAA 388/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885MAPT 3077/4885GAA 388/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885MAPT 3077/4885GAA 388/4885

“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.