SCHEMBL21931774

SCHEMBL21931774

N#Cc1ccc(-c2c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)cncc2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.38
▸ CYP19A1 P11511 1/20 0.36
▸ PTGER4 P35408 1/20 0.32
▸ PDPK1 O15530 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PGR P06401 1/20 0.30

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
SCHEMBL21928592 0.89 PGR (0.35) TNKSADORA2AALDH1A1KDM4ETSHR
SCHEMBL21931771 0.87 TNKS (0.38) TNKSCYP19A1PTGER4PDPK1GSK3B
SCHEMBL21304041 0.84 TNKS (0.39) TNKSCYP19A1PDPK1ADORA2AALDH1A1
SCHEMBL17297087 0.83 TNKS (0.41) TNKSCYP19A1PDPK1GSK3BALDH1A1
SCHEMBL21929095 0.83 DUSP3 (0.32) CYP19A1CYP11B2
SCHEMBL21414108 0.81 TNKS (0.35) TNKSALDH1A1KDM4EKMT2APGR
SCHEMBL21931854 0.81 TNKS (0.37) TNKSCYP19A1GSK3BADORA2A
SCHEMBL21928558 0.81 ATM (0.40) PTGER4PDPK1CYP11B2ALDH1A1ATM
SCHEMBL21928557 0.81 GABRP (0.38) PTGER4CYP11B2
SCHEMBL21928556 0.81 ATM (0.38) PTGER4PDPK1CYP11B2ATMKDM4E

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-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES CYNORA GMBH (DE) 2022-12-08 — — US disclosed
US-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-30 — — 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 (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-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OGFR, OR51E2 TNKS 2167/4885CYP19A1 1182/4885PTGER4 1018/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA TNKS 1543/4885CYP19A1 161/4885PTGER4 1294/4885

“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.

Send feedback