SCHEMBL577870

SCHEMBL577870

[c]1nnn(-c2ccc3ccccc3c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR5A P47898 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HSP90AA1 P07900 1/20 0.41
NOTUM Q6P988 1/20 0.40
MAPK10 P53779 6/20 0.39
MAPK9 P45984 5/20 0.39
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2145761 0.71 CYP19A1 (0.52) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL10330357 0.69 HPGD (0.56) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL577904 0.69 HTT (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8204369 0.67 RAB9A (0.47) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL295060 0.64 CYP19A1 (0.45) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL16786542 0.63 HTR3A (0.53) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL3534699 0.63 HTR3A (0.69) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL17794507 0.63 HSP90AA1 (0.57) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL12841357 0.63 CYP19A1 (0.61) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL29594813 0.63 HTR3A (0.69) HTR3AHTR3EHTR3BHTR5AHTR3D

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 HTR3A 2861/4885HTR3E 2995/4885HTR3B 2032/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 HTR3A 2861/4885HTR3E 2995/4885HTR3B 2032/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 HTR3A 2861/4885HTR3E 2995/4885HTR3B 2032/4885

“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.