SCHEMBL12165806

SCHEMBL12165806

OCC(Nc1nc2ccccc2nc1Cl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ EGFR P00533 9/20 0.45
▸ KDM4E B2RXH2 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ AURKA O14965 2/20 0.41
▸ RPS6KB1 P23443 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ MAPKAPK2 P49137 1/20 0.40
▸ CX3CR1 P49238 1/20 0.40
▸ TACR3 P29371 1/20 0.40

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
SCHEMBL3654673 0.83 KDM4E (0.43) LMNAHPGDSMN1; SMN2KDM4ENPSR1
SCHEMBL3657062 0.82 RXFP1 (0.42) LMNAHPGDSMN1; SMN2KDM4ENPSR1
SCHEMBL18447775 0.77 EGFR (0.49) LMNAHPGDSMN1; SMN2EGFRAURKA
SCHEMBL12165799 0.77 KDM4E (0.59) KDM4ENPSR1RXFP1L3MBTL1TDP1
SCHEMBL14670573 0.74 EGFR (0.46) LMNAHPGDSMN1; SMN2EGFRCCNC
SCHEMBL14662047 0.74 EGFR (0.46) LMNAHPGDSMN1; SMN2EGFRCCNC
SCHEMBL14662045 0.74 EGFR (0.46) LMNAHPGDSMN1; SMN2EGFRCCNC
SCHEMBL2321907 0.74 KDM4E (0.48) KDM4ENPSR1L3MBTL1MAPK1CX3CR1
SCHEMBL2306529 0.72 PHGDH (0.45) LMNAHPGDSMN1; SMN2EGFRKDM4E
SCHEMBL2311758 0.72 PHGDH (0.45) LMNAHPGDSMN1; SMN2EGFRKDM4E

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-8435994-B2 Substituted [1,2,4]triazolo[4,3-alpha]quinoxalines as adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-05-07 — — US disclosed
US-8435994-B2 Substituted [1,2,4]triazolo[4,3-alpha]quinoxalines as adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-05-07 — — US disclosed
US-20120232086-A1 FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY MERCK SHARP & DOHME CORP. (US) 2012-09-13 — — US disclosed
US-20120232086-A1 FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY MERCK SHARP & DOHME CORP. (US) 2012-09-13 — — US disclosed
WO-2011060207-A1 FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY SCHERING CORPORATION (US) 2011-05-19 — — 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-20120232086-A1 FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 LMNA 2562/4885HPGD 2438/4885SMN1; SMN2 1272/4885

“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.

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