SCHEMBL509022

SCHEMBL509022

COc1cccc(-c2cc3cc(OC)c(OC)cc3c(N)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.52
KDM4E B2RXH2 6/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
RAC1 P63000 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
GLA P06280 1/20 0.48
MAP4K4 O95819 1/20 0.48
PDPK1 O15530 2/20 0.47
KLK3 P07288 1/20 0.47
ADORA2A P29274 1/20 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
SCHEMBL508777 0.86 RAD52 (0.55) RAD52KDM4EMEN1KMT2ARAC1
SCHEMBL510224 0.85 SMN1; SMN2 (0.58) RAD52KDM4EMEN1KMT2ARAC1
SCHEMBL509025 0.85 RAD52 (0.53) RAD52KDM4EMEN1KMT2ARAC1
SCHEMBL509600 0.83 ADORA2A (0.53) KDM4EGLAMAP4K4ADORA2AADORA1
SCHEMBL509138 0.82 SCN2A (0.48) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL509538 0.82 SCN2A (0.48) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12070505 0.82 RAD52 (0.53) RAD52KDM4EMEN1KMT2ARAC1
SCHEMBL5068465 0.79 KDM4E (0.45) KDM4EALDH1A1HPGDGLAMAP4K4
SCHEMBL22878824 0.79 KDM4E (0.45) KDM4EGLAMAP4K4ADORA2AADORA1
SCHEMBL30663422 0.79 KDM4E (0.45) KDM4EGLAMAP4K4ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2109/4885MEN1 2187/4885
US-20120029012-A1 5, 6, or 7-SUBSTITUTED -3-(HETERO) ARYLISOQUINOLINAMINE DERIVATIVES AND THERAPEUTIC USE THEREOF FANCD2, NRAS, CCND2 RAD52 542/4885KDM4E 2109/4885MEN1 2187/4885

“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.