SCHEMBL21531873

SCHEMBL21531873

COc1cccc(-n2cnc(-c3ccccc3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
BRAF P15056 1/20 0.47
MAPK14 Q16539 1/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
FGFR1 P11362 2/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NOTUM Q6P988 1/20 0.47
ABCG2 Q9UNQ0 2/20 0.46
POLB P06746 2/20 0.44

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
SCHEMBL181765 0.87 EGLN1 (0.48) LMNATP53SMN1; SMN2POLBCDYL2
SCHEMBL458419 0.81 NPC1 (0.46) MAPK1TSHRTP53SMN1; SMN2NPC1
SCHEMBL182485 0.80 STIM1 (0.52) TP53SMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL17279827 0.79 GRM5 (0.48) TSHRTP53SMN1; SMN2NPC1RAB9A
SCHEMBL21531807 0.79 OPRD1 (0.47) FGFR1
SCHEMBL21863285 0.78 NOTUM (0.51) LMNATSHRTP53SMN1; SMN2FGFR1
SCHEMBL21531883 0.77 BRAF (0.51) MAPK1LMNATSHRHSD17B10BRAF
SCHEMBL182018 0.77 KDM4E (0.48) TSHRHSD17B10SMN1; SMN2FGFR1NPC1
SCHEMBL21816160 0.75 MAPT (0.58) LMNATP53SMN1; SMN2NOTUMPOLB
SCHEMBL182147 0.75 STIM1 (0.54) LMNATP53SMN1; SMN2NPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190334100-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-31 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-20190334100-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, GPX1, OCIAD1 MAPK1 636/4885LMNA 4067/4885TSHR 3961/4885

“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.