SCHEMBL17123791

SCHEMBL17123791

Cc1cc(C)nc(OC2CNC2)n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LDHA P00338 1/20 0.35
CHRM1 P11229 1/20 0.35

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
Hydrochloric Acid SCHEMBL14861505 0.98 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3LDHACHRM1
SCHEMBL30775428 0.81 HRH1 (0.43) SLC6A2SLC6A4LDHA
SCHEMBL14874071 0.73 PDE9A (0.37) LDHA
SCHEMBL17303984 0.72 CHRM1 (0.36) SLC6A2SLC6A4SLC6A3CHRM1
SCHEMBL31656597 0.72 DYRK1A (0.35) SLC6A2SLC6A4SLC6A3CHRM1
SCHEMBL19899744 0.69 FFAR4 (0.41) LDHA
SCHEMBL2264567 0.68 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CHRM1
SCHEMBL1740367 0.68 CHRNB2 (0.46)
SCHEMBL15000427 0.68 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL12523839 0.68 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3CHRM1

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-9993477-B2 Substituted imidazo[1,5-a]pyrazines as PDE9 inhibitors H. LUNDBECK A/S (DK) 2018-06-12 US disclosed
US-20170173018-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS PDE9 INHIBITORS SUNDIA MEDITECH COMPANY, LTD. (CN) 2017-06-22 US disclosed
US-9643970-B2 Substituted imidazo [1,5-a]pyrazines as PDE9 inhibitors H. LUNDBECK A/S (DK) 2017-05-09 US disclosed
EP-3121178-A1 PDE9 INHIBITOR WITH IMIDAZO PYRAZINONE BACKBONE H. Lundbeck A/S (DK) 2017-01-25 EP disclosed
US-20150274736-A1 PDE9i with imidazo pyrazinone backbone SUNDIA MEDITECH COMPANY, LTD. (CN) 2015-10-01 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 (2 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-20150274736-A1 PDE9i with imidazo pyrazinone backbone PDE9A, PDE5A, PDE12 SLC6A2 903/4885SLC6A4 1094/4885SLC6A3 504/4885
US-20170173018-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS PDE9 INHIBITORS PDE9A, PDE12, PDE5A SLC6A2 766/4885SLC6A4 1190/4885SLC6A3 549/4885

“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.