SCHEMBL15023019

SCHEMBL15023019

Brc1ccc(-c2n[nH]cc2-c2ccncc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.43
CHEK1 O14757 1/20 0.36
NTRK1 P04629 5/20 0.36
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
SLC2A1 P11166 1/20 0.35
IMPDH2 P12268 3/20 0.35
MAPK1 P28482 2/20 0.35
GSK3B P49841 2/20 0.35
HSD17B10 Q99714 1/20 0.35
NFATC1 O95644 1/20 0.35
DYRK1A Q13627 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
AURKA O14965 1/20 0.34
CDK1 P06493 1/20 0.34
LYN P07948 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 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
SCHEMBL5443428 0.82 MAPK14 (0.47) MAPK9MAPK10IMPDH2MAPK1HSD17B10
SCHEMBL15022262 0.82 MAPK14 (0.47) MAPK9MAPK10IMPDH2MAPK1HSD17B10
SCHEMBL5451902 0.81 IMPDH2 (0.44) MAPK9MAPK10IMPDH2MAPK1GSK3B
SCHEMBL15022991 0.80 NTRK1 (0.33) CHEK1NTRK1MAPK9MAPK10SLC2A1
SCHEMBL22258789 0.80 CHEK1 (0.41) CHEK1GSK3BAURKACDK1LYN
SCHEMBL18292364 0.78 IDO1 (0.49) CYP19A1GSK3BDYRK1AADORA2AAURKA
SCHEMBL5256518 0.76 NOTUM (0.52) MAPK9MAPK10IMPDH2MAPK1GSK3B
SCHEMBL1554633 0.76 MAPK14 (0.53) MAPK9MAPK10GSK3B
SCHEMBL6078860 0.76 GCGR (0.49)
SCHEMBL5457022 0.76 MAPK14 (0.43) NTRK1MAPK9MAPK10IMPDH2MAPK1

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 3 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

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 CYP19A1 1272/4885CHEK1 3821/4885NTRK1 1609/4885

“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.