SCHEMBL21721909

SCHEMBL21721909

CN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccc(-c4ccccc4-c4cc(C(=O)N(C)c5ccc(-c6ccccn6)cc5)cc(C(=O)N(C)c5ccc(-c6ccccn6)cc5)c4)cn3)nc2)c1)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
CHEK2 O96017 1/20 0.41
P4HTM Q9NXG6 1/20 0.40
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 1/20 0.39
OXTR P30559 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
WNT3A P56704 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM1 Q13255 1/20 0.39
MLNR O43193 2/20 0.38
ATM Q13315 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 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
SCHEMBL22059897 0.95 GPBAR1 (0.41) ABL1BCRCHEK2P4HTMKDM4E
SCHEMBL19933655 0.93 ABL1 (0.43) ABL1BCRCHEK2KDM4EKMT2A
SCHEMBL21721929 0.91 CHEK2 (0.42) ABL1BCRCHEK2KDM4EKMT2A
SCHEMBL21125955 0.89 ABL1 (0.45) ABL1BCRCHEK2KDM4EKMT2A
SCHEMBL18573166 0.88 ABL1 (0.51) ABL1BCRKDM4EKMT2AOXTR
SCHEMBL21125091 0.87 OXTR (0.52) KDM4EKMT2AOXTRMLNRATM
SCHEMBL19933738 0.86 OXTR (0.51) KDM4EKMT2AOXTRMLNRATM
SCHEMBL19933690 0.86 NPC1 (0.43) ABL1BCRCHEK2KDM4EKMT2A
SCHEMBL19933702 0.85 ABL1 (0.42) ABL1BCRCHEK2KDM4EKMT2A
SCHEMBL21397866 0.84 ABL1 (0.43) ABL1BCRCHEK2KDM4EKMT2A

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
EP-3526227-B1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-06-03 EP disclosed
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-02-13 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-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES BICRA, NCLN, IMMT ABL1 3284/4885BCR 3044/4885CHEK2 4031/4885

“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.