SCHEMBL2967279

SCHEMBL2967279

CCCC1=NCc2ccc(Br)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.34
PNMT P11086 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHEK2 O96017 1/20 0.34
ROS1 P08922 1/20 0.34
MARK3 P27448 1/20 0.34
LTK P29376 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
AURKB Q96GD4 1/20 0.34
PBK Q96KB5 1/20 0.34
STK17A Q9UEE5 1/20 0.34
MAP4K5 Q9Y4K4 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL2971665 0.88 ADRA2A (0.37) ADRA2APNMTADRA2BADRA2CCHEK2
SCHEMBL5775498 0.84 CYP1A2 (0.41) ADRA2APNMTADRA2BADRA2CCHEK2
SCHEMBL8484264 0.75 CYP1A2 (0.40) ADRA2APNMTADRA2BADRA2CCHEK2
SCHEMBL2958324 0.73 CHEK2 (0.39) ADRA2APNMTADRA2BADRA2CCHEK2
SCHEMBL17430265 0.71 CHEK2 (0.40) PNMTCHEK2ROS1MARK3LTK
SCHEMBL29507367 0.70 IDO1 (0.45) L3MBTL1GAASMN1; SMN2ALDH1A1
SCHEMBL24453384 0.68 HTR5A (0.42) PARP1PARP10GAARAB9ASMN1; SMN2
SCHEMBL2963718 0.68 HTR7 (0.45) ADRA2APNMTADRA2BADRA2CCHEK2
SCHEMBL30345337 0.66 NPC1 (0.40) PARP10NPC1GAANFKB1RAB9A
SCHEMBL5846216 0.66 CHEK2 (0.36) PNMTCHEK2ROS1MARK3LTK

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-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
WO-2006065809-A2 HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 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-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 ADRA2A 2587/4885PNMT 2021/4885ADRA2B 2498/4885

“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.