SCHEMBL15022282

SCHEMBL15022282

CCc1cccc(C#Cc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.59
MAPK13 O15264 1/20 0.50
CSNK1D P48730 1/20 0.50
CSNK1E P49674 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
LGALS3 P17931 1/20 0.48
PDE4D Q08499 1/20 0.48
BRAF P15056 3/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46

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
SCHEMBL15043339 0.86 PDE10A (0.78) PDE10AMAPK13CSNK1DCSNK1EMAPK12
SCHEMBL30123641 0.86 PDE10A (0.78) PDE10AMAPK13CSNK1DCSNK1EMAPK12
SCHEMBL30123034 0.83 PDE10A (0.66) PDE10AMAPK13CSNK1DCSNK1EMAPK12
SCHEMBL15022337 0.83 PDE10A (0.66) PDE10AMAPK13CSNK1DCSNK1EMAPK12
SCHEMBL15023026 0.82 PDE10A (0.58) PDE10AMAPK13CSNK1DCSNK1EMAPK12
SCHEMBL15022274 0.81 PDE10A (0.57) PDE10AMAPK13CSNK1DCSNK1EMAPK12
SCHEMBL15735061 0.81 PDE10A (0.64) PDE10AMAPK13CSNK1DCSNK1EMAPK12
SCHEMBL30123648 0.81 PDE10A (0.64) PDE10AMAPK13CSNK1DCSNK1EMAPK12
SCHEMBL15733493 0.80 PDE10A (0.68) PDE10AMAPK13CSNK1DCSNK1EMAPK12
SCHEMBL15022107 0.80 PDE10A (0.62) PDE10AMAPK13CSNK1DCSNK1EMAPK12

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
CN-103159738-B The heteroaryl aroma compounds of alkynyl bridging and application thereof 上海泓博智源医药股份有限公司 2016-09-07 CN disclosed
US-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 US disclosed
US-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 US disclosed
US-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 US disclosed
CN-103159738-A Mixed aromatic compound of alkynyl bridging and application thereof SHANGHAI HONGBO ZHIYUAN MEDICAL TECHNOLOGY CO LTD 2013-06-19 CN 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-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF CHRNA10, ATXN10, SCN10A PDE10A 5/4885MAPK13 2559/4885CSNK1D 2512/4885

“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.