SCHEMBL21531807

SCHEMBL21531807

Oc1cccc(-n2cnc(-c3ccccc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.47
OPRM1 P35372 1/20 0.46
FGFR1 P11362 2/20 0.44
GRM5 P41594 2/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
FYN P06241 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL458419 0.83 NPC1 (0.46) GRM5MEN1KMT2A
SCHEMBL182018 0.82 KDM4E (0.48) FGFR1GRM5MEN1KMT2AGAA
SCHEMBL17279827 0.82 GRM5 (0.48) GRM5MEN1KMT2AHDAC1HDAC6
SCHEMBL21531873 0.79 MAPK1 (0.48) FGFR1
SCHEMBL182028 0.79 MAOA (0.43) MEN1KMT2AGAAHDAC1HDAC6
SCHEMBL2396469 0.76 CYP11B1 (0.44) GRM5MEN1KMT2A
SCHEMBL181897 0.76 KMO (0.51) FGFR1MEN1KMT2A
SCHEMBL30186345 0.76 FGFR1 (0.44) OPRD1OPRM1FGFR1HSD17B1HSD17B2
SCHEMBL16073117 0.76 NPC1 (0.47) CCNE1CDK2MEN1KMT2A
SCHEMBL4549490 0.73 HPGDS (0.50) FGFR1MEN1KMT2A

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 OPRD1 1652/4885OPRM1 545/4885FGFR1 2820/4885

“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.