SCHEMBL22912663

SCHEMBL22912663

Brc1cc(-c2ccnc(Br)c2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.55
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5AP P20292 1/20 0.38
KDM1A O60341 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
MAPK10 P53779 4/20 0.34
DYRK1A Q13627 2/20 0.34
BUB1 O43683 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PLAU P00749 1/20 0.32
KMO O15229 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32

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
SCHEMBL28460649 0.90 LMNA (0.52) IDO1DYRK1ALMNAMAPT
SCHEMBL4993 0.88 NOTUM (0.48) IDO1ALDH1A1SMN1; SMN2BUB1PLAU
SCHEMBL30375140 0.88 NOTUM (0.48) IDO1ALDH1A1SMN1; SMN2BUB1PLAU
SCHEMBL20958107 0.86 ALDH1A1 (0.46) IDO1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL25397821 0.84 MAP4K4 (0.46) IDO1ALDH1A1MAPT
SCHEMBL28582294 0.84 IDO1 (0.44) IDO1KDM4EALDH1A1SMN1; SMN2ALOX5AP
SCHEMBL27955461 0.84 ESR1 (0.46) IDO1DYRK1A
SCHEMBL1669704 0.83 IDO1 (0.47) IDO1KDM4EALDH1A1SMN1; SMN2ALOX5AP
SCHEMBL16341603 0.81 CYP2A6 (0.58) IDO1KDM4EALDH1A1SMN1; SMN2DYRK1A
SCHEMBL17445451 0.81 CYP11B1 (0.50) IDO1KDM4EALDH1A1SMN1; SMN2MAPK10

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-20240268215-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2024-08-08 US disclosed
EP-3581632-B1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-01-27 EP 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-20240268215-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND LAGE3, LEF1, CRY1 IDO1 440/4885KDM4E 1469/4885ALDH1A1 25/4885

“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.