SCHEMBL2147572

SCHEMBL2147572

NC1(c2ccc(Br)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
PLAU P00749 1/20 0.37
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 1/20 0.35
GBA1 P04062 1/20 0.33
FDPS P14324 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
RAB9A P51151 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SYK P43405 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31

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
Hydrochloric Acid SCHEMBL15240864 0.98 ADRA2A (0.39) ADRA2AADRA2BADRA2CPLAUALDH1A1
SCHEMBL881806 0.92 ADRA2A (0.35) ADRA2AADRA2BADRA2CPLAUALDH1A1
SCHEMBL881575 0.87 TSHR (0.38) ADRA2AADRA2BADRA2CPLAUALDH1A1
Hydrochloric Acid SCHEMBL15240828 0.81 ADRA2A (0.36) ADRA2AADRA2BADRA2CPLAUALDH1A1
SCHEMBL2389056 0.77 CA12 (0.36) ADRA2AADRA2BADRA2CALDH1A1KDM4E
SCHEMBL25222236 0.75 ADRA2A (0.37) ADRA2AADRA2BADRA2CPLAUALDH1A1
SCHEMBL2396167 0.75 SYK (0.31) SYK
Hydrochloric Acid SCHEMBL3656948 0.75 ADRA2A (0.37) ADRA2AADRA2BADRA2CKDM4EOPRM1
SCHEMBL2392188 0.75 NOS3 (0.45) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL32683553 0.75 OPRM1 (0.44) OPRM1OPRL1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020221826-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-05 WO disclosed
WO-2020221816-A1 NOVEL PHENYL AND PYRIDYL UREAS ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-05 WO disclosed
US-9556202-B2 Sulfonamide derivatives and methods of use thereof for improving the pharmacokinetics of a drug MERCK SHARP & DOHME CORP. (US) 2017-01-31 US disclosed
US-9556202-B2 Sulfonamide derivatives and methods of use thereof for improving the pharmacokinetics of a drug MERCK SHARP & DOHME CORP. (US) 2017-01-31 US disclosed
EP-2867220-B1 SULFONAMIDE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME (US) 2016-12-14 EP disclosed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
CN-102827160-B PI3K or PI3K/m-TOR pathway inhibitor and the purposes in pharmacy thereof SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2015-11-18 CN disclosed
US-20150197531-A1 SULFONAMIDE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2015-07-16 US disclosed
US-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-06-18 US disclosed
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-06-18 US disclosed
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed
US-7524842-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-7524842-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-20070197564-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-23 US disclosed
US-20070197564-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-23 US disclosed
WO-2007084451-A1 HYDANTOIN DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2007-07-26 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-20150197531-A1 SULFONAMIDE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG SULT2A1, SULT1A1, SULT1E1 ADRA2A 1394/4885ADRA2B 1957/4885ADRA2C 2663/4885
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 ADRA2A 3658/4885ADRA2B 3520/4885ADRA2C 3924/4885
US-20070197564-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 ADRA2A 3658/4885ADRA2B 3520/4885ADRA2C 3924/4885

“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.