SCHEMBL9971272

SCHEMBL9971272

CCCc1cnc2ccccc2n1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 13/20 0.77
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL7068584 0.89 PDE10A (0.71) PDE10AMAPTMEN1KMT2ACYP1A2
SCHEMBL12066225 0.87 PDE10A (1.00) PDE10AMAPTMEN1KMT2A
SCHEMBL7109686 0.87 PDE10A (0.69) PDE10AMAPTMEN1KMT2ACYP1A2
SCHEMBL28001999 0.85 PDE10A (0.67) PDE10AMAPTMEN1KMT2ACYP1A2
SCHEMBL28001709 0.85 PDE10A (0.67) PDE10AMAPTMEN1KMT2ACYP1A2
SCHEMBL14795853 0.85 PDE10A (0.67) PDE10AMAPTMEN1KMT2ACYP1A2
SCHEMBL28524344 0.85 PDE10A (0.67) PDE10AMAPTMEN1KMT2ACYP1A2
SCHEMBL27964546 0.85 PDE10A (0.67) PDE10AMAPTMEN1KMT2ACYP1A2
SCHEMBL28236355 0.85 PDE10A (0.67) PDE10AMAPTMEN1KMT2ACYP1A2
SCHEMBL28236348 0.85 PDE10A (0.67) PDE10AMAPTMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087674-B Method for synthesizing quinoxaline compound under catalysis of visible light induced photosensitizer 河南大学 2022-06-17 CN disclosed
CN-113087674-A Method for synthesizing quinoxaline compound under visible light induced iron catalysis condition 河南大学 2021-07-09 CN disclosed
CN-108043442-B Carbon-supported ruthenium nano material, preparation method thereof and application of carbon-supported ruthenium nano material in catalyzing reaction of alcohol and aromatic diamine 苏州大学 2021-03-19 CN disclosed
WO-2019078462-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2019-04-25 WO disclosed
EP-3466418-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS NuSirt Sciences, Inc. (US) 2019-04-10 EP disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-9328079-B2 Process for producing optically active amine TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-05-03 US disclosed
US-9328079-B2 Process for producing optically active amine TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-05-03 US disclosed
US-9328079-B2 Process for producing optically active amine TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-05-03 US disclosed
US-20150210657-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINE TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-07-30 US disclosed
US-20150210657-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINE TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-07-30 US disclosed
US-20150210657-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINE TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-07-30 US disclosed
WO-2014038666-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINE 高砂香料工業株式会社 (JP) 2014-03-13 WO disclosed
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2012-06-21 US disclosed
WO-2009085879-A2 C20-C21 SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS SCHERING CORPORATION (US) 2009-07-09 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 (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-20150210657-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINE HRH3, HRH1, ATIC PDE10A 337/4885MAPT 3781/4885MEN1 1200/4885
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 PDE10A 14/4885MAPT 3272/4885MEN1 2942/4885

“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.