SCHEMBL8513409

SCHEMBL8513409

COc1ccc2ccn(C3=CC=C3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
PDE10A Q9Y233 11/20 0.35
PDE2A O00408 3/20 0.32
MAPT P10636 1/20 0.32
PDE5A O76074 2/20 0.31
PDE7A Q13946 2/20 0.31
PDE11A Q9HCR9 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3A Q14432 1/20 0.31
PDE7B Q9NP56 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
SCHEMBL1150427 0.75 MTNR1A (0.42) MTNR1AMTNR1BPDE10APDE2APDE5A
SCHEMBL22337647 0.72 MTNR1A (0.50) MTNR1AMTNR1BPDE10APDE2APDE5A
SCHEMBL586792 0.70 CLK1 (0.35) MTNR1AMTNR1BPDE10APDE2AMAPT
SCHEMBL19231458 0.69 MTNR1A (0.46) MTNR1AMTNR1BPDE10A
SCHEMBL20939368 0.66 MTNR1A (0.62) MTNR1AMTNR1BPDE10APDE2APDE5A
SCHEMBL18544266 0.65 MTNR1A (0.42) MTNR1AMTNR1BPDE10APDE2APDE5A
SCHEMBL8513406 0.64 MTNR1A (0.40) MTNR1AMTNR1BPDE10A
SCHEMBL14487895 0.62 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL20710553 0.62 CDK4 (0.45) MTNR1AMTNR1B
SCHEMBL14487572 0.62 MTNR1A (0.64) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 US disclosed
WO-2010117935-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 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 (1 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-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT EIF2AK2, MAVS, ZC3HAV1 MTNR1A 1737/4885MTNR1B 1716/4885PDE10A 3156/4885

“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.