SCHEMBL14725544

SCHEMBL14725544

CC1Cc2cnccc2/C=C\c2ccncc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.38
CYP19A1 P11511 4/20 0.38
CYP11B1 P15538 3/20 0.38
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
SIGMAR1 Q99720 1/20 0.33
CHRNA7 P36544 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
SCHEMBL12286123 0.79 SIGMAR1 (0.33) CHRNB2CHRNA4SIGMAR1CHRNA7
SCHEMBL8349550 0.77
SCHEMBL19979167 0.75 SIGMAR1 (0.39) CYP11B2CYP19A1CYP11B1CHRNB2CHRNA4
SCHEMBL12285690 0.72 BUB1 (0.30)
SCHEMBL30825565 0.68 SIGMAR1 (0.35) CYP11B2CYP19A1CYP11B1CHRNB2CHRNA4
SCHEMBL28165447 0.68 SIGMAR1 (0.35) CHRNB2CHRNA4SIGMAR1
SCHEMBL15479677 0.68 SIGMAR1 (0.32) CHRNB2CHRNA4SIGMAR1
SCHEMBL16892310 0.68 SIGMAR1 (0.32) CHRNB2CHRNA4SIGMAR1
SCHEMBL20661768 0.64 SIGMAR1 (0.32) CHRNB2CHRNA4SIGMAR1
SCHEMBL19074698 0.64 AOC1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2017-04-20 US disclosed
US-9566340-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2016-04-14 US disclosed
US-9198972-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2015-12-01 US disclosed
US-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACEUTICALS, INC. (US) 2013-02-28 US 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-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) DNMT1, FANCI, PCNA CYP11B2 1683/4885CYP19A1 456/4885CYP11B1 1056/4885
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 CYP11B2 1310/4885CYP19A1 346/4885CYP11B1 803/4885
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 CYP11B2 1310/4885CYP19A1 346/4885CYP11B1 803/4885

“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.