SCHEMBL2164396

SCHEMBL2164396

O=C(CCc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1ccc2cnccc2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 4/20 0.58
BRAF P15056 2/20 0.57
KDR P35968 2/20 0.57
MAPK14 Q16539 2/20 0.57
TNNI3K Q59H18 2/20 0.57
TRPV1 Q8NER1 2/20 0.57
ROCK2 O75116 1/20 0.55
PRMT3 O60678 1/20 0.53
NTRK1 P04629 2/20 0.53
NTRK2 Q16620 2/20 0.53
MCHR1 Q99705 3/20 0.52
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL19860091 0.89 ROCK2 (0.60) IMPDH2TRPV1ROCK2PRMT3MCHR1
SCHEMBL2164137 0.82 PRMT3 (0.69) IMPDH2ROCK2PRMT3MAPTHTT
SCHEMBL19860082 0.80 ROCK1 (0.60) IMPDH2ROCK2PRMT3MCHR1
SCHEMBL3566775 0.80 PRMT3 (0.72) IMPDH2ROCK2PRMT3MAPTHTT
SCHEMBL14124401 0.79 IMPDH2 (0.61) IMPDH2ROCK2PRMT3MEN1MAPT
SCHEMBL19860107 0.78 ROCK2 (0.57) IMPDH2TRPV1ROCK2PRMT3MEN1
SCHEMBL3174300 0.78 KDR (0.70) BRAFKDRMAPK14TNNI3KTRPV1
SCHEMBL28279154 0.77 MAPT (0.73) MEN1MAPTHTTRAB9AKMT2A
SCHEMBL5658162 0.76 IMPDH2 (0.73) IMPDH2TRPV1ROCK2PRMT3
SCHEMBL12059419 0.76 MAPT (0.61) BRAFKDRMAPK14TNNI3KNTRK1

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 49 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
EP-2118064-A2 6-AMINOISOQUINOLINE COMPOUNDS USEFUL AS KINASE MODULATORS AERIE PHARMACEUTICALS, INC. (US) 2009-11-18 EP disclosed
WO-2008086269-A2 6-AMINOISOQUINOLINE COMPOUNDS USEFUL AS KINASE MODULATORS AERIE PHARMACEUTICALS, INC. (US) 2008-07-17 WO 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 IMPDH2 2131/4885BRAF 269/4885KDR 580/4885
US-20200181090-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK IMPDH2 2131/4885BRAF 269/4885KDR 580/4885
US-20080167340-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK IMPDH2 2131/4885BRAF 269/4885KDR 580/4885
US-10472327-B2 6-aminoisoquinoline compounds COQ8A, PGC, AGK IMPDH2 2131/4885BRAF 269/4885KDR 580/4885
US-10899714-B2 6-aminoisoquinoline compounds COQ8A, PGC, AGK IMPDH2 2131/4885BRAF 269/4885KDR 580/4885
US-20070173530-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK IMPDH2 2131/4885BRAF 269/4885KDR 580/4885
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK IMPDH2 2131/4885BRAF 269/4885KDR 580/4885

“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.