SCHEMBL577904

SCHEMBL577904

COc1ccc(-n2n[c]nn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
RAB9A P51151 3/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 2/20 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
SCHEMBL27940754 0.85 ALDH1A1 (0.41) HTTCYP1A2CYP2C9ADRB1RAB9A
SCHEMBL1269807 0.70 KDM4E (0.46) HTTSIGMAR1RAB9AKMT2AMAPT
SCHEMBL24921498 0.70 HTT (0.57) HTTCYP1A2CYP2C9CA12CA1
SCHEMBL5193585 0.69 CYP1A2 (0.52) HTTCYP1A2CYP2C9CA12CA1
SCHEMBL577870 0.69 HTR3A (0.42) CYP1A2CYP2C9HTR3EHTR3BHTR3A
SCHEMBL27940750 0.68 DRD2 (0.45) CA12CA1CA2CA7CA9
SCHEMBL5193636 0.67 HTT (0.53) HTTCYP1A2CYP2C9RAB9AKMT2A
SCHEMBL27786874 0.67 P2RX7 (0.45) HTTCYP1A2CYP2C9CA12CA1
SCHEMBL6616591 0.67 CYP1A2 (0.48) HTTCYP1A2CYP2C9CA12CA1
SCHEMBL27912184 0.66 HTT (0.51) HTTCYP1A2CYP2C9CA12CA1

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 HTT 3958/4885CYP1A2 744/4885CYP2C9 562/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 HTT 3958/4885CYP1A2 744/4885CYP2C9 562/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 HTT 3958/4885CYP1A2 744/4885CYP2C9 562/4885

“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.