SCHEMBL10158642

SCHEMBL10158642

CCc1cc2c(s1)CCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
ADRA1D P25100 2/20 0.49
DAO P14920 1/20 0.44
ADRA2A P08913 3/20 0.42
ADRA2B P18089 3/20 0.42
ADRA2C P18825 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 8/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 3/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL8000759 0.96 POLB (0.56) POLBADRA1DDAOADRA2AADRA2B
SCHEMBL11987826 0.94 POLB (0.59) POLBADRA1DDAOADRA2AADRA2B
SCHEMBL11987816 0.94 POLB (0.59) POLBADRA1DDAOADRA2AADRA2B
SCHEMBL16519854 0.80 POLB (0.53) POLBADRA1DDAOADRA2AADRA2B
SCHEMBL26858055 0.79 POLB (0.51) POLBADRA1DDAOADRA2AADRA2B
SCHEMBL3551196 0.79 POLB (0.56) POLBADRA1DDAOADRA2AADRA2B
SCHEMBL12797609 0.79 ADRA1D (0.49) POLBADRA1DDAOADRA2AADRA2B
SCHEMBL22895103 0.77 POLB (0.37) POLBADRA1DALDH1A1CYP2C9MEN1
SCHEMBL11237572 0.75 POLB (0.61) POLBADRA1DDAOADRA2AADRA2B
SCHEMBL16423060 0.75 POLB (0.56) POLBADRA1DDAOADRA2AADRA2B

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
EP-2220046-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES INC (US) 2014-06-18 EP disclosed
EP-2220095-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES INC (US) 2013-01-02 EP disclosed
WO-2012138670-A1 PROCESS FOR THE PREPARATION OF AN HIV INTEGRASE INHIBITOR GILEAD SCIENCES, INC. (US) 2012-10-11 WO disclosed
EP-2220076-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2012-01-18 EP disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
US-7884108-B2 tyrosine kinase inhibitors such as N-(3-(6-(4-(1,4-Dimethyl-3-oxopiperazin-2-yl)phenyl amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-fluorophenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide for treating bone disorders, allergic disorders, autoimmune diseases, inflammatory diseases CGI PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
WO-2009062285-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062289-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062308-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. 2009-03-26 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 (2 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-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK POLB 2133/4885ADRA1D 2610/4885DAO 2972/4885
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, MYD88 POLB 2798/4885ADRA1D 3284/4885DAO 1474/4885

“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.