SCHEMBL18907359

SCHEMBL18907359

Brc1cc2c(-c3ccccc3)nc3cc4ccccc4cc3c2c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.46
ESR2 Q92731 6/20 0.46
NUDT1 P36639 3/20 0.41
ADORA2A P29274 2/20 0.41
PRNP P04156 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE10A Q9Y233 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL17035120 0.88 NUDT1 (0.46) NUDT1ADORA2APRNPKDM4ELMNA
SCHEMBL18907176 0.82 PDE10A (0.47) ESR1ESR2NUDT1ADORA2AKDM4E
SCHEMBL18347005 0.81 ADORA2A (0.38) ESR1ESR2NUDT1ADORA2AKDM4E
SCHEMBL18907362 0.81 MAPT (0.43) NUDT1ADORA2APRNPKDM4ELMNA
SCHEMBL18907184 0.81 ESR1 (0.49) ESR1ESR2NUDT1ADORA2AKDM4E
SCHEMBL18907191 0.80 MEN1 (0.44) ESR1ESR2NUDT1ADORA2AKDM4E
SCHEMBL18907357 0.78 CYP1A2 (0.38) NUDT1ADORA2APRNPKDM4ESMN1; SMN2
SCHEMBL18907252 0.77 ESR1 (0.44) ESR1ESR2NUDT1ADORA2AKDM4E
SCHEMBL17035148 0.76 CYP1A2 (0.45) LMNACYP1A2CYP2C19HSD17B10MAPT
SCHEMBL18907303 0.76 ESR1 (0.43) ESR1ESR2NUDT1ADORA2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170155057-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 US disclosed
US-20170155057-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 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-20170155057-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, OCIAD1, CCNT1 ESR1 114/4885ESR2 456/4885NUDT1 1449/4885

“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.