SCHEMBL23716945

SCHEMBL23716945

Cc1ccc2nc(C(F)(F)F)cc(O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.55
ADRA2A P08913 1/20 0.53
HTR2C P28335 1/20 0.53
AXL P30530 1/20 0.53
HRH1 P35367 1/20 0.53
HTR2B P41595 1/20 0.53
HTR6 P50406 1/20 0.53
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
MAPT P10636 3/20 0.51
ELANE P08246 2/20 0.48
NT5E P21589 3/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
NCOA1 Q15788 1/20 0.43
HIF1A Q16665 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
CYP1A2 P05177 2/20 0.41

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
SCHEMBL29029739 0.87 ADRB2 (0.45) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL12961030 0.83 ADRB2 (0.57) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL30492152 0.81 NT5E (0.66) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL12961034 0.81 ADRB2 (0.56) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL1536650 0.81 NT5E (0.66) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL2712104 0.81 KDM4E (0.49) NT5ELMNAPOLBCDK2ADORA2A
SCHEMBL4420000 0.81 NT5E (0.49) ADRB2MAPTNT5ELMNAPOLB
SCHEMBL11828378 0.80 NT5E (0.51) MAPTNT5ELMNAPOLBHTT
SCHEMBL15491345 0.80 ADRB2 (0.55) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL8234615 0.80 ADRB2 (0.55) ADRB2ADRA2AHTR2CAXLHRH1

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-12459921-B2 Isoindoline compound, preparation method, pharmaceutical composition and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2025-11-04 US disclosed
US-20220041576-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-02-10 US disclosed
CN-110963994-B Isoindoline compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-02-08 CN disclosed
EP-3862348-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-08-11 EP disclosed
CN-110963994-A Isoindoline compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2020-04-07 CN 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-12459921-B2 Isoindoline compound, preparation method, pharmaceutical composition and use thereof CUL4B, CUL4A, UBQLN1 ADRB2 897/4885ADRA2A 1845/4885HTR2C 1014/4885
US-20220041576-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF CUL4B, CUL4A, UBQLN1 ADRB2 897/4885ADRA2A 1845/4885HTR2C 1014/4885

“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.