SCHEMBL2162509

SCHEMBL2162509

O=C(/C=C/c1ccc(C(=O)C2(c3ccccc3)CC2)cc1)Nc1ccc2cnccc2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.48
▸ IMPDH2 P12268 3/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ROCK2 O75116 5/20 0.44
▸ ROCK1 Q13464 2/20 0.44
▸ TRPV1 Q8NER1 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ PRMT3 O60678 1/20 0.42
▸ TOP2A P11388 1/20 0.41
▸ TOP2B Q02880 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 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
SCHEMBL2162513 1.00 CYP3A4 (0.48) CYP3A4IMPDH2NPC1RAB9AROCK2
SCHEMBL14124402 0.84 IMPDH2 (0.64) CYP3A4IMPDH2NPC1RAB9AROCK2
SCHEMBL20524931 0.83 CYP3A4 (0.57) CYP3A4IMPDH2NPC1RAB9AROCK2
SCHEMBL20524933 0.83 CYP3A4 (0.57) CYP3A4IMPDH2NPC1RAB9AROCK2
SCHEMBL2162380 0.80 CYP3A4 (0.54) CYP3A4IMPDH2NPC1RAB9AROCK2
SCHEMBL2162386 0.80 CYP3A4 (0.54) CYP3A4IMPDH2NPC1RAB9AROCK2
SCHEMBL20353542 0.80 CYP3A4 (0.58) CYP3A4IMPDH2NPC1RAB9ATRPV1
SCHEMBL14124381 0.78 KDM4E (0.54) CYP3A4IMPDH2NPC1RAB9ANAMPT
SCHEMBL20353523 0.78 CYP3A4 (0.56) CYP3A4IMPDH2NPC1RAB9ACA12
SCHEMBL14124383 0.76 CYP3A4 (0.61) CYP3A4NPC1RAB9ATRPV1CA12

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10899714-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2021-01-26 — — US disclosed
US-20200181090-A1 6-AMINOISOQUINOLINE COMPOUNDS ALCON INC. (CH) 2020-06-11 — — US disclosed
US-20200181090-A1 6-AMINOISOQUINOLINE COMPOUNDS ALCON INC. (CH) 2020-06-11 — — US disclosed
US-10472327-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2019-11-12 — — US disclosed
US-10472327-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2019-11-12 — — US disclosed
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS ALCON INC. (CH) 2018-07-05 — — US disclosed
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS ALCON INC. (CH) 2018-07-05 — — US disclosed
US-9890123-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2018-02-13 — — US disclosed
US-9890123-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2018-02-13 — — US disclosed
US-20160280656-A1 6-AMINOISOQUINOLINE COMPOUNDS ALCON INC. (CH) 2016-09-29 — — US disclosed
US-7671205-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2010-03-02 — — US disclosed
US-7671205-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2010-03-02 — — US disclosed
US-7671205-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2010-03-02 — — US disclosed
WO-2008086269-A2 6-AMINOISOQUINOLINE COMPOUNDS USEFUL AS KINASE MODULATORS AERIE PHARMACEUTICALS, INC. (US) 2008-07-17 — — WO disclosed
US-20080167340-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2008-07-10 — — US disclosed
US-20080167340-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2008-07-10 — — US disclosed
US-20080167340-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2008-07-10 — — US disclosed
US-20070173530-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2007-07-26 — — US disclosed
US-20070173530-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2007-07-26 — — US disclosed
US-20070173530-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2007-07-26 — — 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 (7 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-20160280656-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK CYP3A4 2672/4885IMPDH2 2131/4885NPC1 510/4885
US-20200181090-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK CYP3A4 2672/4885IMPDH2 2131/4885NPC1 510/4885
US-20080167340-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK CYP3A4 2672/4885IMPDH2 2131/4885NPC1 510/4885
US-10472327-B2 6-aminoisoquinoline compounds COQ8A, PGC, AGK CYP3A4 2672/4885IMPDH2 2131/4885NPC1 510/4885
US-10899714-B2 6-aminoisoquinoline compounds COQ8A, PGC, AGK CYP3A4 2672/4885IMPDH2 2131/4885NPC1 510/4885
US-20070173530-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK CYP3A4 2672/4885IMPDH2 2131/4885NPC1 510/4885
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK CYP3A4 2672/4885IMPDH2 2131/4885NPC1 510/4885

“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.

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