SCHEMBL13091038

SCHEMBL13091038

Cc1ccc2c(c1)NC(=O)C2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.46
ACVR1 Q04771 2/20 0.44
BMPR1B O00238 1/20 0.44
BMPR1A P36894 1/20 0.44
TGFBR1 P36897 1/20 0.44
ACVRL1 P37023 1/20 0.44
CREBBP Q92793 2/20 0.41
BRD4 O60885 1/20 0.41
MMP12 P39900 1/20 0.39
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
BRPF1 P55201 1/20 0.36
TSHR P16473 1/20 0.36
ROS1 P08922 1/20 0.36

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
SCHEMBL24112743 1.00 PGR (0.46) PGRACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL24112730 0.85 PGR (0.54) PGRACVR1CREBBPBRD4GAA
SCHEMBL9651557 0.85 PGR (0.54) PGRACVR1CREBBPBRD4GAA
SCHEMBL2239581 0.79 PGR (0.45) PGRACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL7268601 0.79 PGR (0.45) PGRACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL13734072 0.79 PGR (0.60) PGRACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL24112918 0.79 PGR (0.60) PGRACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL24112740 0.79 PGR (0.45) PGRACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL21637687 0.79 USP2 (0.38) ACVR1CREBBPBRD4MMP12USP2
SCHEMBL15730556 0.79 PGR (0.45) PGRACVR1BMPR1BBMPR1ATGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 WO disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-9505749-B2 Quinazolinone compounds and derivatives thereof AMGEN INC. (US) 2016-11-29 US disclosed
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof AMGEN INC. 2015-08-13 US disclosed
WO-2014113485-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2014-07-24 WO disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
WO-2010123139-A1 ARYLCARBOXAMIDE DERIVATIVE HAVING SULFAMOYL GROUP 持田製薬株式会社 (JP) 2010-10-28 WO 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-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof TNKS, TPI1, TNKS1BP1 PGR 4422/4885ACVR1 3605/4885BMPR1B 4616/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PGR 1804/4885ACVR1 3499/4885BMPR1B 4192/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PGR 1804/4885ACVR1 3499/4885BMPR1B 4192/4885

“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.