SCHEMBL985592

SCHEMBL985592

Fc1ccc(OCC2CC2)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.54
HTR2C P28335 3/20 0.54
HTR2B P41595 2/20 0.54
PKM P14618 1/20 0.53
RAB9A P51151 2/20 0.44
BRD4 O60885 1/20 0.42
RIPK1 Q13546 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IDH2 P48735 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL21949867 0.92 PKM (0.49) HTR2AHTR2CHTR2BPKMRAB9A
SCHEMBL31710999 0.89 HTR2A (0.48) HTR2AHTR2CHTR2BPKMRAB9A
SCHEMBL983941 0.88 HTR2C (0.51) HTR2AHTR2CHTR2BPKMBRD4
SCHEMBL31710828 0.85 PKM (0.49) HTR2AHTR2CHTR2BPKMRAB9A
SCHEMBL20497372 0.83 PKM (0.50) HTR2AHTR2CHTR2BPKMRAB9A
SCHEMBL20497371 0.83 PKM (0.50) HTR2AHTR2CHTR2BPKMRAB9A
SCHEMBL28333031 0.82 HTR2A (0.56) HTR2AHTR2CHTR2BBRD4RIPK1
SCHEMBL31710431 0.81 RBP4 (0.50) PKMRAB9AMAPTKDM4ENPC1
SCHEMBL1438650 0.80 SCN8A (0.43) HTR2AHTR2CHTR2BRIPK1IDH2
SCHEMBL9774749 0.80 ALDH1A1 (0.50) HTR2AHTR2CHTR2BPKMRAB9A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158039-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2023-05-25 US disclosed
US-20210236508-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2021-08-05 US disclosed
CN-106986872-B Bromodomain inhibitors 艾伯维公司 2020-04-21 CN disclosed
US-20180296566-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2018-10-18 US disclosed
EP-2797918-B1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2017-11-29 EP disclosed
CN-106986872-A Bromine domain inhibitor 艾伯维公司 2017-07-28 CN disclosed
CN-104136435-B bromodomain inhibitors 艾伯维公司 2017-05-10 CN disclosed
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
US-20160143916-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2016-05-26 US disclosed
US-9296741-B2 Bromodomain inhibitors ABBVIE INC. (US) 2016-03-29 US disclosed
US-20140162971-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2014-06-12 US disclosed
WO-2013097601-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2013-07-04 WO disclosed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
EP-2470536-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US disclosed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 US disclosed
WO-2011023693-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-03-03 WO disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 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 (8 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-20180296566-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 HTR2A 2225/4885HTR2C 2369/4885HTR2B 1840/4885
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A HTR2A 3062/4885HTR2C 1834/4885HTR2B 1921/4885
US-20140162971-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 HTR2A 2225/4885HTR2C 2369/4885HTR2B 1840/4885
US-20230158039-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 HTR2A 2225/4885HTR2C 2369/4885HTR2B 1840/4885
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A HTR2A 1891/4885HTR2C 1128/4885HTR2B 1305/4885
US-20160143916-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 HTR2A 2225/4885HTR2C 2369/4885HTR2B 1840/4885
US-20210236508-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 HTR2A 2225/4885HTR2C 2369/4885HTR2B 1840/4885
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A HTR2A 2043/4885HTR2C 1115/4885HTR2B 1383/4885

“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.