SCHEMBL21547156

SCHEMBL21547156

N#Cc1cccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c(C(F)(F)F)c2-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 1/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ PRF1 P14222 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ CFTR P13569 1/20 0.32
▸ ADRA2C P18825 1/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ACP1 P24666 1/20 0.31

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
SCHEMBL21547115 0.93 ENPP1 (0.33) ENPP1PDK2PRF1PTGDR2KDM4E
SCHEMBL21547145 0.90 KIF11 (0.35) ENPP1PDK2PRF1CYP1A2CYP3A4
SCHEMBL21547055 0.86 ADORA2A (0.35) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL21546524 0.86 ENPP1 (0.37) ENPP1PDK2PRF1CYP1A2CYP3A4
SCHEMBL21547165 0.86 KDM4E (0.39) ENPP1PDK2CYP1A2CYP3A4CYP2D6
SCHEMBL22760853 0.85 ENPP1 (0.36) ENPP1PDK2PRF1CYP1A2CYP3A4
SCHEMBL22760852 0.85 ENPP1 (0.36) ENPP1PDK2PRF1CYP1A2CYP3A4
SCHEMBL21547103 0.85 PDK2 (0.39) ENPP1PDK2PRF1CYP1A2CYP3A4
SCHEMBL21547155 0.85 KIF11 (0.35) ENPP1PDK2PRF1CYP1A2CYP3A4
SCHEMBL22761213 0.85 PDK2 (0.40) ENPP1PDK2PRF1PTGDR2PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 — — US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 — — US disclosed
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 — — 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 (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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM ENPP1 2388/4885PDK2 2517/4885PRF1 4364/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ENPP1 2388/4885PDK2 2517/4885PRF1 4364/4885

“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