SCHEMBL107028

SCHEMBL107028

Brc1ccc(C2OCCCO2)cn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CHRNB2 P17787 4/20 0.33
CHRNA4 P43681 4/20 0.33
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
PARP1 P09874 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
SCHEMBL31218768 1.00 CYP11B1 (0.34) CYP11B1CYP11B2CHRNB2CHRNA4CCNB2
SCHEMBL30392892 0.92 CCNB2 (0.36) CYP11B1CYP11B2CHRNB2CHRNA4CCNB2
SCHEMBL108593 0.92 CCNB2 (0.36) CYP11B1CYP11B2CHRNB2CHRNA4CCNB2
SCHEMBL13690850 0.81 CYP11B1 (0.34) CYP11B1CYP11B2CCNB2CDK1CCNB1
SCHEMBL9451018 0.75 MEN1 (0.41) CYP11B1CYP11B2CCNB2CDK1CCNB1
SCHEMBL511959 0.74 KDM1A (0.40) CYP11B1CYP11B2
SCHEMBL17177076 0.73 CCNB2 (0.36) CYP11B1CYP11B2CCNB2CDK1CCNB1
SCHEMBL16462321 0.71 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL31469673 0.70 KDM4E (0.37)
SCHEMBL1655533 0.70 TRPV6 (0.42) CYP11B2CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426108-B1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC (CA) 2016-08-10 EP disclosed
EP-2426108-B1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC (CA) 2016-08-10 EP disclosed
US-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 US disclosed
US-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 US disclosed
US-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 US disclosed
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-20140179632-A1 METHODS OF INHIBITING PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2014-06-26 US disclosed
US-20140179632-A1 METHODS OF INHIBITING PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2014-06-26 US disclosed
US-20110077240-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-03-31 US disclosed
US-20110077240-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-03-31 US disclosed
EP-2262815-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY MethylGene Inc. (CA) 2010-12-22 EP disclosed
EP-2183255-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MethylGene Inc. (CA) 2010-05-12 EP disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
WO-2009109035-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2009-09-11 WO disclosed
WO-2009026720-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS METHYLGENE INC. (CA) 2009-03-05 WO disclosed
WO-2009026720-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS METHYLGENE INC. (CA) 2009-03-05 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-20140179632-A1 METHODS OF INHIBITING PROTEIN TYROSINE KINASE ACTIVITY PTK2B, PRKACA, DSTYK CYP11B1 3857/4885CYP11B2 3954/4885CHRNB2 3328/4885
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 CYP11B1 2331/4885CYP11B2 2753/4885CHRNB2 3838/4885
US-20110077240-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY ABL1, ERBB2, TYRO3 CYP11B1 3639/4885CYP11B2 3753/4885CHRNB2 4303/4885

“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.