SCHEMBL577223

SCHEMBL577223

COc1ccc2[c]nc(-c3nc(C(C)C)cs3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.38
CYP1B1 Q16678 5/20 0.38
CYP19A1 P11511 3/20 0.37
NPC1 O15118 4/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
ATM Q13315 1/20 0.34
CYP2E1 P05181 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL577618 0.81 CYP1A1 (0.38) CYP1A1CYP1B1CYP19A1NPC1MAPT
SCHEMBL577220 0.80 CYP1A1 (0.34) CYP1A1CYP1B1NPC1MAPTRAB9A
SCHEMBL577972 0.79 PGK1 (0.32) CYP19A1NPC1KMT2A
SCHEMBL578198 0.78 CYP19A1 (0.33) CYP1A1CYP1B1CYP19A1NPC1MAPT
SCHEMBL577723 0.78 CYP1A1 (0.35) CYP1A1CYP1B1CYP19A1
SCHEMBL2871319 0.77 CYP19A1 (0.40) CYP1A1CYP1B1CYP19A1NPC1MAPT
SCHEMBL2839773 0.76 ACHE (0.38) CYP1A1CYP1B1CYP19A1NPC1MAPT
SCHEMBL8004418 0.76 CYP1A1 (0.41) CYP1A1CYP1B1CYP19A1MAPTCYP1A2
SCHEMBL577814 0.74 ALDH1A1 (0.33) CYP19A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL577207 0.74 APLNR (0.33) CYP1A1CYP1B1CYP19A1NPC1MAPT

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US claimed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US claimed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US claimed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP claimed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP claimed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US claimed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO claimed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO claimed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US claimed
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 CYP1A1 829/4885CYP1B1 530/4885CYP19A1 1537/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP1A1 829/4885CYP1B1 530/4885CYP19A1 1537/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP1A1 829/4885CYP1B1 530/4885CYP19A1 1537/4885

“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.