SCHEMBL20524931

SCHEMBL20524931

O=C(/C=C/c1ccc(C(=O)O)cc1)Nc1ccc2cnccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.57
▸ IMPDH2 P12268 4/20 0.53
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ LTB4R Q15722 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ CA12 O43570 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ PRMT3 O60678 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL20524933 1.00 CYP3A4 (0.57) CYP3A4IMPDH2NPC1RAB9ALTB4R
SCHEMBL20353542 0.89 CYP3A4 (0.58) CYP3A4IMPDH2NPC1RAB9AMEN1
SCHEMBL14124402 0.89 IMPDH2 (0.64) CYP3A4IMPDH2NPC1RAB9ATRPV1
SCHEMBL14124381 0.87 KDM4E (0.54) CYP3A4IMPDH2NPC1RAB9AMEN1
SCHEMBL20353523 0.87 CYP3A4 (0.56) CYP3A4IMPDH2NPC1RAB9AMEN1
SCHEMBL2162380 0.85 CYP3A4 (0.54) CYP3A4IMPDH2NPC1RAB9ALTB4R
SCHEMBL2162386 0.85 CYP3A4 (0.54) CYP3A4IMPDH2NPC1RAB9ALTB4R
SCHEMBL22752111 0.84 CYP3A4 (0.53) CYP3A4IMPDH2NPC1RAB9AMEN1
SCHEMBL14124383 0.83 CYP3A4 (0.61) CYP3A4NPC1RAB9AMEN1KMT2A
SCHEMBL2162509 0.83 CYP3A4 (0.48) CYP3A4IMPDH2NPC1RAB9ATRPV1

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-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 — — 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
EP-3609871-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS Aerie Pharmaceuticals, Inc. (US) 2020-02-19 — — EP disclosed
US-20180327381-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2018-11-15 — — US disclosed
WO-2018183911-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2018-10-04 — — WO 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 CYP3A4 4644/4885IMPDH2 1627/4885NPC1 2104/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK CYP3A4 4644/4885IMPDH2 1627/4885NPC1 2104/4885
US-20180327381-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK CYP3A4 4644/4885IMPDH2 1627/4885NPC1 2104/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK CYP3A4 4644/4885IMPDH2 1627/4885NPC1 2104/4885
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK CYP3A4 4644/4885IMPDH2 1627/4885NPC1 2104/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK CYP3A4 4644/4885IMPDH2 1627/4885NPC1 2104/4885

“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