SCHEMBL22011410

SCHEMBL22011410

c1ccc(-c2nc(-n3c4ccccc4c4c5c(ccc6sc7ccccc7c65)c5c6ccccc6sc5c43)c3ccccc3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.39
ABCG2 Q9UNQ0 5/20 0.37
TSHR P16473 4/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 4/20 0.34
ACHE P22303 1/20 0.34
PDE5A O76074 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL22012051 0.97 ACP1 (0.38) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL19985993 0.89 ACP1 (0.41) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL24171387 0.89 ABCG2 (0.41) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL19985994 0.88 ACP1 (0.40) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL24171801 0.86 HSD17B10 (0.33) HSD17B10LMNAMEN1KMT2AHTT
SCHEMBL24171568 0.85 ACP1 (0.36) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL22011592 0.84
SCHEMBL19985995 0.83 ACP1 (0.36) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL22012110 0.82 ALDH1A1 (0.40) MAPK1HSD17B10LMNAMEN1KMT2A
SCHEMBL19988503 0.81 ACP1 (0.38) ACP1ABCG2TSHRMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
EP-3880682-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-14 EP disclosed
US-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-01-06 US disclosed
WO-2020099307-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-22 WO 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 (2 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-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES ZYX, RER1, AOC2 ACP1 3195/4885ABCG2 4409/4885TSHR 3272/4885
US-12035625-B2 Materials for organic electroluminescent devices ZYX, RER1, AOC2 ACP1 3195/4885ABCG2 4409/4885TSHR 3272/4885

“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.