SCHEMBL22563499

SCHEMBL22563499

N#Cc1cc(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(-n2c3ccccc3c3cc(C#N)ccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.43
ABCB1 P08183 3/20 0.43
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CLK4 Q9HAZ1 3/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
LCK P06239 1/20 0.38
CDK1 P06493 1/20 0.38
CSF1R P07333 1/20 0.38
LYN P07948 1/20 0.38
RET P07949 1/20 0.38
KIT P10721 1/20 0.38
FGFR1 P11362 1/20 0.38
FER P16591 1/20 0.38
FLT1 P17948 1/20 0.38

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
SCHEMBL22563431 0.96 ABCG2 (0.44) ABCG2ABCB1LMNAKDM4ESMN1; SMN2
SCHEMBL21279102 0.93 ABCG2 (0.43) ABCG2ABCB1LMNAKDM4ESMN1; SMN2
SCHEMBL22563555 0.93 ABCG2 (0.41) ABCG2ABCB1LMNAKDM4ESMN1; SMN2
SCHEMBL22563572 0.92 ABCG2 (0.40) ABCG2ABCB1LMNAKDM4ESMN1; SMN2
SCHEMBL21108013 0.92 ABCG2 (0.42) ABCG2ABCB1LMNAKDM4ECLK4
SCHEMBL22563406 0.91 ALDH1A3 (0.45) ABCG2ABCB1LMNAKDM4ECLK4
SCHEMBL22563505 0.91 ABCG2 (0.39) ABCG2ABCB1LMNAKDM4ESMN1; SMN2
SCHEMBL22563507 0.91 ABCG2 (0.39) ABCG2ABCB1LMNAKDM4ESMN1; SMN2
SCHEMBL19909543 0.91 ABCG2 (0.40) ABCG2ABCB1LMNAKDM4ESMN1; SMN2
SCHEMBL23487262 0.90 ABCG2 (0.42) ABCG2ABCB1LMNAKDM4ESMN1; SMN2

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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-10 US disclosed
EP-3580300-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 ABCG2 2612/4885ABCB1 1179/4885LMNA 4272/4885

“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.