SCHEMBL21758587

SCHEMBL21758587

N#Cc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccn2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.39
KDM4C Q9H3R0 1/20 0.35
PTGER4 P35408 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
CDC7 O00311 1/20 0.32
CDK2 P24941 1/20 0.32
TGFBR1 P36897 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 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
SCHEMBL21758584 1.00 GRM5 (0.39) GRM5KDM4CPTGER4TNKS2DDB1
SCHEMBL21758592 0.97 GRM5 (0.40) GRM5KDM4CPTGER4DDB1CRBN
SCHEMBL21397127 0.95 GRM5 (0.42) GRM5KDM4CPTGER4CDC7CDK2
SCHEMBL21758725 0.92 GRM5 (0.37) GRM5KDM4CPTGER4TNKS2KDM4E
SCHEMBL21758739 0.92 GRM5 (0.37) GRM5KDM4CPTGER4TNKS2TGFBR1
SCHEMBL21758737 0.91 GRM5 (0.41) GRM5KDM4CDDB1CRBNCDC7
SCHEMBL21758591 0.91 GRM5 (0.36) GRM5KDM4CPTGER4TNKS2TGFBR1
SCHEMBL21758382 0.90 ATM (0.38) GRM5KDM4CPTGER4KDM4EALDH1A1
SCHEMBL21758378 0.90 GRM5 (0.38) GRM5ALDH1A1
SCHEMBL21758379 0.90 GRM5 (0.38) GRM5KDM4CPTGER4TNKS2CDC7

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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 GRM5 3349/4885KDM4C 1800/4885PTGER4 1728/4885

“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.