SCHEMBL22752185

SCHEMBL22752185

CC(C)C(=O)OCc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP17A1 P05093 1/20 0.52
CYP19A1 P11511 1/20 0.52
NAPRT Q6XQN6 1/20 0.50
CYP3A4 P08684 1/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
TBXAS1 P24557 2/20 0.49
HDAC1 Q13547 1/20 0.48
KDM4E B2RXH2 1/20 0.47
FAAH O00519 1/20 0.47
NAMPT P43490 1/20 0.47
PKM P14618 1/20 0.47
GPR132 Q9UNW8 1/20 0.46

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
SCHEMBL11825984 0.87 KMT2A (0.50) KMT2ALMNATDP1CYP17A1CYP19A1
Hydrochloric Acid SCHEMBL11825975 0.86 KMT2A (0.49) KMT2ALMNATDP1CYP17A1CYP19A1
SCHEMBL27825989 0.86 KMT2A (0.50) KMT2ALMNATDP1CYP17A1CYP19A1
Hydrochloric Acid SCHEMBL11825978 0.86 KMT2A (0.49) KMT2ALMNATDP1CYP17A1CYP19A1
SCHEMBL2747668 0.85 KDM4E (0.57) KMT2ALMNATDP1CYP17A1CYP19A1
SCHEMBL19582000 0.84 CYP17A1 (0.48) KMT2ALMNATDP1CYP17A1CYP19A1
SCHEMBL11824862 0.84 CYP17A1 (0.48) KMT2ALMNATDP1CYP17A1CYP19A1
SCHEMBL14351315 0.83 KMT2A (0.53) KMT2ALMNATDP1CYP17A1CYP19A1
SCHEMBL29556883 0.83 KMT2A (0.53) KMT2ALMNATDP1CYP17A1CYP19A1
SCHEMBL10812363 0.83 TBXAS1 (0.57) KMT2ALMNATDP1CYP17A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
US-20230015308-A1 SUBSTITUTED THIAZOLE AROMATIC RING-BASED COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-01-19 US disclosed
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2021-01-07 US disclosed
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2020-12-08 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 (6 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-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK KMT2A 1750/4885LMNA 3205/4885TDP1 710/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK KMT2A 1750/4885LMNA 3205/4885TDP1 710/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK KMT2A 1750/4885LMNA 3205/4885TDP1 710/4885
US-20230015308-A1 SUBSTITUTED THIAZOLE AROMATIC RING-BASED COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF WEE1, CBR3, GLRX3 KMT2A 3228/4885LMNA 3472/4885TDP1 3350/4885
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK KMT2A 1750/4885LMNA 3205/4885TDP1 710/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK KMT2A 1750/4885LMNA 3205/4885TDP1 710/4885

“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.