SCHEMBL5751655

SCHEMBL5751655

COc1ccc(B(O)O)c(C(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NNMT P40261 2/20 0.35
ENPP2 Q13822 2/20 0.34
TXNRD1 Q16881 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
ACVR2A P27037 1/20 0.32
TGFBR2 P37173 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL29952389 1.00 POLB (0.36) POLBTDP1NNMTENPP2TXNRD1
SCHEMBL22281202 0.89 POLB (0.34) POLBTDP1NNMTTXNRD1SIRT2
SCHEMBL16294781 0.77 POLB (0.38) POLBTDP1NNMTENPP2TXNRD1
SCHEMBL19364178 0.77 POLB (0.38) POLBTDP1NNMTTXNRD1KDM4E
SCHEMBL29956451 0.77 POLB (0.38) POLBTDP1NNMTENPP2TXNRD1
SCHEMBL29653296 0.75 NNMT (0.50) POLBTDP1NNMTENPP2ALDH1A1
SCHEMBL248283 0.75 NNMT (0.50) POLBTDP1NNMTENPP2ALDH1A1
SCHEMBL17586768 0.75 TXNRD1 (0.36) POLBTDP1NNMTTXNRD1SIRT2
SCHEMBL15077682 0.75 KMT2A (0.42) POLBTDP1NNMTTXNRD1ALDH1A1
SCHEMBL321488 0.75 POLB (0.52) POLBTDP1NNMTENPP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3433258-B1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC (US) 2023-07-19 EP disclosed
EP-3430000-B1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC (US) 2022-12-28 EP disclosed
US-10822311-B2 Pyrimidines and variants thereof, and uses therefor Afferent Pharmaceuticals, Inc. (US) 2020-11-03 US disclosed
US-10662162-B2 Pyrimidines and variants thereof, and uses therefor Afferent Pharmaceuticals, Inc. (US) 2020-05-26 US disclosed
US-20190055202-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2019-02-21 US disclosed
WO-2017165255-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2017-09-28 WO disclosed
WO-2017160569-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2017-09-21 WO disclosed
US-20060199823-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands NEUROGEN CORPORATION (US) 2006-09-07 US disclosed
EP-1680424-A2 HETEROARYL FUSED PYRIDINES, PYRAZINES AND PYRIMIDINES AS CRF1 RECEPTOR LIGANDS Neurogen Corporation (US) 2006-07-19 EP disclosed
EP-1675858-A2 5-ARYL-PYRAZOLO [4,3-D] PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2006-07-05 EP disclosed
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands AVENTIS PHARMACEUTICALS, INC. 2005-05-26 US disclosed
WO-2005028480-A2 5-ARYL-PYRAZOLO[4,3-D]PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2005-03-31 WO disclosed
US-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds NEUROGEN CORPORATION 2005-03-31 US disclosed
WO-2005023806-A2 HETEROARYL FUSED PYRIDINES, PYRAZINES AND PYRIMIDINES AS CRF1 RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-03-17 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 (6 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-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds CRHR1, HTR5A, HTR1D POLB 4030/4885TDP1 1057/4885NNMT 3488/4885
US-10662162-B2 Pyrimidines and variants thereof, and uses therefor P2RX3, P2RX7, P2RX1 POLB 2200/4885TDP1 379/4885NNMT 2584/4885
US-20060199823-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A POLB 4347/4885TDP1 1559/4885NNMT 3825/4885
US-10822311-B2 Pyrimidines and variants thereof, and uses therefor P2RX3, P2RX5, P2RX4 POLB 1896/4885TDP1 304/4885NNMT 1626/4885
US-20190055202-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR P2RX3, P2RX7, P2RX1 POLB 2200/4885TDP1 379/4885NNMT 2584/4885
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A POLB 4347/4885TDP1 1559/4885NNMT 3825/4885

“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.