SCHEMBL510204

SCHEMBL510204

COc1ccc(-c2cc3ccc(C)cc3c(N)n2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.49
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 6/20 0.49
MAPT P10636 4/20 0.49
DHFR P00374 1/20 0.48
NPC1 O15118 2/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 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
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47

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
SCHEMBL509771 0.89 KDM4E (0.52) RAD52KDM4EALDH1A1MAPTDHFR
SCHEMBL509201 0.86 RAD52 (0.49) RAD52KDM4EALDH1A1MAPTDHFR
SCHEMBL509858 0.83 SYK (0.56) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL509133 0.83 ACACA (0.58) KDM4EALDH1A1MAPTDHFRNPC1
Hydrochloric Acid SCHEMBL3846196 0.82 ADK (0.48) RAD52KDM4EALDH1A1MAPTDHFR
SCHEMBL509124 0.80 NPC1 (0.47) RAD52ALDH1A1MAPTNPC1HPGD
SCHEMBL509138 0.80 SCN2A (0.48) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL509097 0.78 XDH (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL509476 0.78 HSP90AA1 (0.56) RAD52KDM4EALDH1A1DHFRNPC1
SCHEMBL509183 0.78 KDM4E (0.52) RAD52KDM4EALDH1A1MAPTDHFR

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 RAD52 542/4885KDM4E 2109/4885ALDH1A1 997/4885
US-20120029012-A1 5, 6, or 7-SUBSTITUTED -3-(HETERO) ARYLISOQUINOLINAMINE DERIVATIVES AND THERAPEUTIC USE THEREOF FANCD2, NRAS, CCND2 RAD52 542/4885KDM4E 2109/4885ALDH1A1 997/4885

“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.