SCHEMBL14917547

SCHEMBL14917547

Cc1cccc2c(=O)n(N)nc(C3CNC3)c12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.34
HTR2C P28335 5/20 0.34
HTR2B P41595 5/20 0.34
TYMS P04818 1/20 0.33
SSTR4 P31391 3/20 0.33
KAT2B Q92831 3/20 0.33
SSTR1 P30872 1/20 0.33
PARP1 P09874 3/20 0.30
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL1785783 0.69 CHRNA7 (0.41) HTR2AKAT2BPARP1KDM4E
SCHEMBL14917548 0.68 KAT2B (0.39) KAT2BKDM4E
SCHEMBL13679483 0.68 KAT2B (0.42) KAT2BPARP1
SCHEMBL1789276 0.67 ATM (0.48) KAT2BPARP1
SCHEMBL1791199 0.67 CHRNA7 (0.44) KAT2BPARP1KDM4E
SCHEMBL29059152 0.62 KAT2B (0.47) KAT2B
SCHEMBL1786624 0.62 NPSR1 (0.56) KDM4E
SCHEMBL1933205 0.62 PRMT5 (0.38) PARP1KDM4E
SCHEMBL1933711 0.61 CHRNA7 (0.42) PARP1
SCHEMBL17559093 0.59 KAT2B (0.47) KAT2B

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-9657034-B2 Substituted furo[3,2-c]pyridines, thieno[3,2-c]pyridines, thieno[2,3-d]pyridazines and pyrido[3,4-d]pyridazines as phosphodiesterase type 10A inhibitors AbbVie Deuschland GmbH & Co. KG (DE) 2017-05-23 US disclosed
US-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-05-19 US disclosed
US-9273068-B2 Substituted isoquinolines and phthalazines as inhibitors of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-03-01 US disclosed
EP-2776418-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co KG (DE) 2014-09-17 EP disclosed
WO-2013068470-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-05-16 WO disclosed
US-20130116241-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 US disclosed
US-20130116233-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 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-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE3B HTR2A 619/4885HTR2C 450/4885HTR2B 181/4885
US-20130116241-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE3B HTR2A 619/4885HTR2C 450/4885HTR2B 181/4885
US-20130116233-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE2A HTR2A 539/4885HTR2C 915/4885HTR2B 369/4885

“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.