SCHEMBL2597676

SCHEMBL2597676

OB(O)c1ccccc1C1COCCN1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CTSK P43235 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
KCNH2 Q12809 1/20 0.31
ENPP2 Q13822 1/20 0.30

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
SCHEMBL5054635 0.79 HTR2A (0.37) PRKACAPRKACGPRKACBHTR2B
SCHEMBL11138422 0.79 HTR2C (0.43) PRKACAPRKACGPRKACBSLC6A2ADRA1A
SCHEMBL29748038 0.79 HTR2C (0.43) PRKACAPRKACGPRKACBSLC6A2ADRA1A
SCHEMBL28822767 0.77 PRKACA (0.34) PRKACAPRKACGPRKACBCTSKCSNK1D
SCHEMBL28839278 0.76 MEN1 (0.42)
SCHEMBL23136984 0.76 PRKACA (0.45) PRKACAPRKACGPRKACBSLC6A2ADRA1A
SCHEMBL30463847 0.76 PRKACA (0.45) PRKACAPRKACGPRKACBSLC6A2ADRA1A
SCHEMBL20319860 0.76 TAAR1 (0.38) PRKACAPRKACGPRKACBSLC6A2HTR2B
SCHEMBL24005407 0.76 PRKACA (0.36) PRKACAPRKACGPRKACBSLC6A2ADRA1A
SCHEMBL1177526 0.75 CTSB (0.36) PRKACAPRKACGPRKACBSLC6A2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3533796-B1 AMINO PYRAZOLOPYRIMIDINE COMPOUND USED AS NEUROTROPHIC FACTOR TYROSINE KINASE RECEPTOR INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-09-29 EP disclosed
US-10829492-B2 Amino pyrazolopyrimidine compound used as neurotrophic factor tyrosine kinase receptor inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-11-10 US disclosed
CN-109890820-B Aminopyrazolopyrimidine compounds as neurotrophin tyrosine kinase receptor inhibitors 正大天晴药业集团股份有限公司 2020-11-03 CN disclosed
CN-111163766-A AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2020-05-15 CN disclosed
US-20190352306-A1 AMINO PYRAZOLOPYRIMIDINE COMPOUND USED AS NEUROTROPHIC FACTOR TYROSINE KINASE RECEPTOR INHIBITOR LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. (CN) 2019-11-21 US disclosed
EP-3533796-A1 AMINO PYRAZOLOPYRIMIDINE COMPOUND USED AS NEUROTROPHIC FACTOR TYROSINE KINASE RECEPTOR INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-09-04 EP disclosed
US-9663525-B2 Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160244455-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-25 US disclosed
EP-2571872-B1 COMPOUNDS TREHERNE JOHNATHAN MARK (GB) 2014-12-31 EP disclosed
EP-2571872-A1 COMPOUNDS BTG International Limited (GB) 2013-03-27 EP disclosed
EP-2571856-A1 COMPOUNDS BTG International Limited (GB) 2013-03-27 EP disclosed
WO-2011144578-A1 COMPOUNDS SENEXIS LIMITED (GB) 2011-11-24 WO disclosed
WO-2011144577-A1 COMPOUNDS SENEXIS LIMITED (GB) 2011-11-24 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-10829492-B2 Amino pyrazolopyrimidine compound used as neurotrophic factor tyrosine kinase receptor inhibitor NTRK2, BDNF, NTRK1 PRKACA 227/4885PRKACG 366/4885PRKACB 389/4885
US-20160244455-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME UBA1, UBXN1, UBE2E1 PRKACA 1865/4885PRKACG 2123/4885PRKACB 1999/4885
US-20190352306-A1 AMINO PYRAZOLOPYRIMIDINE COMPOUND USED AS NEUROTROPHIC FACTOR TYROSINE KINASE RECEPTOR INHIBITOR NTRK2, BDNF, NTRK1 PRKACA 227/4885PRKACG 366/4885PRKACB 389/4885

“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.