SCHEMBL509771

SCHEMBL509771

COc1ccc(-c2cc3cc(C)ccc3c(N)n2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 5/20 0.52
MAPT P10636 4/20 0.52
RAD52 P43351 1/20 0.52
HSD17B10 Q99714 3/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
DHFR P00374 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL510204 0.89 RAD52 (0.49) KDM4EALDH1A1MAPTRAD52HSD17B10
SCHEMBL509183 0.86 KDM4E (0.52) KDM4EALDH1A1MAPTRAD52HSD17B10
SCHEMBL509551 0.86 RAD52 (0.52) KDM4EALDH1A1MAPTRAD52HSD17B10
SCHEMBL508360 0.83 SYK (0.56) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL509133 0.83 ACACA (0.58) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL509564 0.82 ADORA2A (0.47) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL509491 0.80 NPC1 (0.43) KDM4EALDH1A1RAD52HSD17B10HPGD
SCHEMBL25372907 0.80 DHFR (0.50) KDM4EALDH1A1MAPTRAD52HSD17B10
SCHEMBL509538 0.80 SCN2A (0.48) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL30401740 0.80 DHFR (0.50) KDM4EALDH1A1MAPTRAD52HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532020-B 5, 6, or 7-substituted -3-(hetero) arylisoquinolinamine derivatives REXAHN PHARMACEUTICALS INC 2015-02-25 CN disclosed
US-8314123-B2 5, 6, or 7-substituted -3-(hetero) arylisoquinolinamine derivatives and therapeutic use thereof REXAHN PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
EP-2423196-A1 5, 6 or 7-substituted-3-phenylisoquinolinamine derivatives and therapeutic use thereof Rexahn Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
US-20120029012-A1 5, 6, or 7-SUBSTITUTED -3-(HETERO) ARYLISOQUINOLINAMINE DERIVATIVES AND THERAPEUTIC USE THEREOF REXAHN PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-8034829-B2 e.g. 3-(3-methoxyphenyl)isoquinolin-1-amine; antiproliferative and antigrowth agent; breast tumors, prostate tumors, colon tumors, ovary tumors, kidney tumors, pancreas tumors, glioblastoma and melanoma. REXAHN PHARMACEUTICALS, INC. (US) 2011-10-11 US disclosed
US-20080182871-A1 5, 6, or 7-Substituted - 3-(hetero) arylisoquinolinamine derivatives and therapeutic use thereof REXAHN PHARMACEUTICALS, INC. (US) 2008-07-31 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 (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-20080182871-A1 5, 6, or 7-Substituted - 3-(hetero) arylisoquinolinamine derivatives and therapeutic use thereof FANCD2, NRAS, CCND2 KDM4E 2109/4885ALDH1A1 997/4885MAPT 4755/4885
US-20120029012-A1 5, 6, or 7-SUBSTITUTED -3-(HETERO) ARYLISOQUINOLINAMINE DERIVATIVES AND THERAPEUTIC USE THEREOF FANCD2, NRAS, CCND2 KDM4E 2109/4885ALDH1A1 997/4885MAPT 4755/4885

“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.