SCHEMBL22147602

SCHEMBL22147602

N#Cc1cccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
GBA1 P04062 1/20 0.32
GABRG2 P18507 3/20 0.32
GABRB3 P28472 3/20 0.32
ABCB1 P08183 2/20 0.32
ABCG2 Q9UNQ0 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL22147676 0.91 SMN1; SMN2 (0.36) PDK2SMN1; SMN2HIF1AGBA1ABCB1
SCHEMBL22147686 0.88 SMN1; SMN2 (0.34) PDK2SMN1; SMN2HIF1AGBA1ABCB1
SCHEMBL22147673 0.88 SMN1; SMN2 (0.34) PDK2SMN1; SMN2HIF1AGBA1ABCB1
SCHEMBL22147675 0.87 SMN1; SMN2 (0.33) PDK2SMN1; SMN2HIF1A
SCHEMBL22147593 0.85 ALDH1A1 (0.34) SMN1; SMN2HIF1AGABRG2GABRB3ABCB1
SCHEMBL27016043 0.84 GABRG2 (0.34) PDK2SMN1; SMN2HIF1AGBA1GABRG2
SCHEMBL22147493 0.84 ALDH1A1 (0.38) SMN1; SMN2HIF1AGABRG2GABRB3ABCB1
SCHEMBL22147499 0.84 ALDH1A1 (0.38) SMN1; SMN2HIF1AGABRG2GABRB3ABCB1
SCHEMBL22147648 0.84 CYP1A2 (0.34) SMN1; SMN2HIF1AGBA1GABRG2GABRB3
SCHEMBL22147504 0.82 ALDH1A1 (0.36) SMN1; SMN2HIF1AGABRG2GABRB3ABCB1

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-20200199149-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND LG DISPLAY CO., LTD. (KR) 2020-06-25 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-20200199149-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND OCIAD1, OSTC, OCIAD2 PDK2 889/4885SMN1; SMN2 3089/4885HIF1A 4437/4885

“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.