SCHEMBL20172874

SCHEMBL20172874

CN(c1ccccc1C(F)(F)F)c1cccc2c1sc1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.36
PARP14 Q460N5 1/20 0.35
SLC9A1 P19634 2/20 0.34
ALOX5 P09917 1/20 0.34
ACP1 P24666 1/20 0.34
MAPT P10636 4/20 0.33
KIF11 P52732 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
IDO1 P14902 1/20 0.32
TP53 P04637 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
RAB9A P51151 2/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 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
SCHEMBL20172868 0.88 GPR3 (0.38) GPR3PARP14ALOX5MAPTKIF11
SCHEMBL20172922 0.88 ACP1 (0.35) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL20172912 0.87 ACP1 (0.33) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL20733887 0.86 GPR3 (0.48) GPR3PARP14ALOX5MAPTCLK4
SCHEMBL20172918 0.84 HDAC3 (0.33) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL20172880 0.84 ACP1 (0.33) ACP1MAPTKIF11CYP1A2CYP2D6
SCHEMBL20172890 0.84 ACP1 (0.33) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL21021048 0.81 P2RX7 (0.35) ACP1KIF11CYP2C9IDO1HDAC6
SCHEMBL21021486 0.81 POLQ (0.36) ACP1CYP1A2CYP2D6HDAC6KDM4E
SCHEMBL20172940 0.81 ACP1 (0.34) ACP1KIF11CYP1A2CYP2D6CYP2C9

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-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
EP-3428152-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2019-01-16 EP disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (3 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 GPR3 2049/4885PARP14 3288/4885SLC9A1 4772/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 GPR3 4628/4885PARP14 4124/4885SLC9A1 1463/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 GPR3 2049/4885PARP14 3288/4885SLC9A1 4772/4885

“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.