SCHEMBL15022076

SCHEMBL15022076

Brc1ccc(-c2ccnn2-c2ccncc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 3/20 0.58
▸ MAPK10 P53779 3/20 0.58
▸ MAPK8 P45983 1/20 0.58
▸ KDM5A P29375 1/20 0.47
▸ KDM4C Q9H3R0 1/20 0.47
▸ KDM5B Q9UGL1 1/20 0.47
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ USP8 P40818 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PTGS2 P35354 3/20 0.36
▸ FLT3 P36888 3/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ SMPD1 P17405 2/20 0.34

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
SCHEMBL15022988 0.93 MAPK9 (0.59) MAPK9MAPK10MAPK8KDM5AKDM4C
SCHEMBL28179494 0.91 KDM5A (0.50) MAPK9MAPK10MAPK8KDM5AKDM4C
SCHEMBL15022263 0.78 MAPK9 (0.54) MAPK9MAPK10MAPK8PTGS2FLT3
SCHEMBL27315071 0.78 MAPK9 (0.68) MAPK9MAPK10MAPK8KDM5AKDM4C
SCHEMBL8954490 0.77 PTGS2 (0.57) KDM5AKDM4CKDM5BPTGS2
SCHEMBL3272118 0.75 MAPK9 (0.59) MAPK9MAPK10MAPK8KDM5AKDM4C
SCHEMBL25611895 0.75 FLT3 (0.61) MAPK9MAPK10MAPK8KDM5AKDM4C
SCHEMBL15022086 0.74 MAPK9 (0.50) MAPK9MAPK10MAPK8KDM5AKDM4C
SCHEMBL15022252 0.73 MAPK9 (0.39) MAPK9MAPK10MAPK8KDM5AKDM4C
SCHEMBL5907310 0.72 MAPK9 (0.56) MAPK9MAPK10MAPK8KDM5AKDM4C

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 MAPK9 1943/4885MAPK10 61/4885MAPK8 2561/4885

“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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