SCHEMBL20540463

SCHEMBL20540463

COc1nc(Cl)c(C(F)(F)F)cc1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MPI P34949 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
XPO1 O14980 2/20 0.34
ERN1 O75460 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
GAA P10253 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
CCR4 P51679 1/20 0.32
NFE2L2 Q16236 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
SCHEMBL25962882 0.81 AURKA (0.39) ALDH1A1KDM4EERN1GAATSHR
SCHEMBL29581116 0.81 ERN1 (0.39) ALDH1A1KDM4EERN1TSHRTDP1
SCHEMBL20719582 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1MAPTMPI
SCHEMBL30448383 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1MAPTMPI
SCHEMBL6953346 0.78 KMT2A (0.38) ALDH1A1MEN1MAPTKMT2AXPO1
SCHEMBL20539389 0.78 TDP1 (0.41) ALDH1A1KDM4EMEN1MAPTMPI
SCHEMBL29580781 0.78 TDP1 (0.41) ALDH1A1KDM4EMEN1MAPTMPI
SCHEMBL29580580 0.76 ERN1 (0.38) ALDH1A1KDM4EMEN1MAPTMPI
SCHEMBL23961392 0.73 ERN1 (0.40) ALDH1A1KDM4EMEN1MAPTMPI
SCHEMBL29580627 0.72 KDM4E (0.39) ALDH1A1KDM4EMAPTXPO1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590062-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2026-03-31 US disclosed
CN-118878461-A PD-1/PD-L1 inhibitors 吉利德科学公司 2024-11-01 CN disclosed
CN-114591226-B Preparation method of nicotinaldehyde derivative 南京益恩生物科技有限公司 2024-09-17 CN disclosed
US-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-25 US disclosed
EP-4313968-A2 SUBSTITUTED 1-ARYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1'-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2024-02-07 EP disclosed
WO-2022208269-A2 SUBSTITUTED 1-ARYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1'-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2022-10-06 WO disclosed
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
CN-114591226-A Preparation method of nicotinaldehyde derivative 南京益恩生物科技有限公司 2022-06-07 CN disclosed
CN-114437051-A Biphenyl compound, preparation method and application thereof 药康众拓(江苏)医药科技有限公司 2022-05-06 CN disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
EP-3612525-A1 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2020-02-26 EP disclosed
WO-2018195321-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2018-10-25 WO disclosed
US-20180305315-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2018-10-25 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 (4 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 ALDH1A1 104/4885KDM4E 1276/4885MEN1 1022/4885
US-12590062-B2 PD-1/PD-L1 inhibitors CD274, PDCD1LG2, PDCD1 ALDH1A1 409/4885KDM4E 1970/4885MEN1 3035/4885
US-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME HAVCR2, HDGF, HCCS ALDH1A1 382/4885KDM4E 840/4885MEN1 1254/4885
US-20180305315-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 ALDH1A1 104/4885KDM4E 1276/4885MEN1 1022/4885

“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.