SCHEMBL15022262

SCHEMBL15022262

Brc1ccc(-c2c[nH]nc2-c2ccncc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.47
GCGR P47871 4/20 0.47
MAPK13 O15264 4/20 0.47
MAPK12 P53778 4/20 0.47
MAPK11 Q15759 4/20 0.47
IMPDH2 P12268 3/20 0.44
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPK9 P45984 2/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5443428 1.00 MAPK14 (0.47) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5451902 0.89 IMPDH2 (0.44) MAPK14MAPK13MAPK12MAPK11IMPDH2
SCHEMBL1128951 0.86 ALDH1A1 (0.50) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL1129154 0.86 ALDH1A1 (0.50) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5256518 0.84 NOTUM (0.52) MAPK14MAPK13MAPK12MAPK11IMPDH2
SCHEMBL6078860 0.83 GCGR (0.49) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL1554633 0.83 MAPK14 (0.53) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5457022 0.83 MAPK14 (0.43) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5256520 0.83 GCGR (0.49) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL6077530 0.83 MAPK14 (0.53) MAPK14GCGRMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK14 3170/4885GCGR 375/4885MAPK13 2559/4885

“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.