SCHEMBL509287

SCHEMBL509287

COc1cc2cc(-c3c(C)cccc3C)nc(N)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.59
PDPK1 O15530 3/20 0.48
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
RAC1 P63000 4/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 2/20 0.43
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
TLR8 Q9NR97 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
SCHEMBL509882 0.85 RAD52 (0.64) RAD52PDPK1KDM4EMAPTRAC1
SCHEMBL508777 0.81 RAD52 (0.55) RAD52PDPK1KDM4EMAPTRAC1
SCHEMBL510224 0.80 SMN1; SMN2 (0.58) RAD52PDPK1KDM4EMAPTRAC1
SCHEMBL509022 0.78 RAD52 (0.52) RAD52PDPK1KDM4EMAPTRAC1
SCHEMBL12070505 0.77 RAD52 (0.53) RAD52PDPK1KDM4EMAPTRAC1
SCHEMBL508363 0.76 CYP1A2 (0.50) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL509605 0.76 CYP1A2 (0.50) RAD52KDM4EMEN1KMT2ANPC1
SCHEMBL3831280 0.75 ALDH1A1 (0.44) PDPK1KDM4EMAPTNPC1RAB9A
SCHEMBL509025 0.74 RAD52 (0.53) RAD52PDPK1KDM4EMAPTRAC1
SCHEMBL509108 0.71 ACACA (0.51) PDPK1KDM4EMAPTMEN1KMT2A

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 542/4885PDPK1 2830/4885KDM4E 2109/4885
US-20120029012-A1 5, 6, or 7-SUBSTITUTED -3-(HETERO) ARYLISOQUINOLINAMINE DERIVATIVES AND THERAPEUTIC USE THEREOF FANCD2, NRAS, CCND2 RAD52 542/4885PDPK1 2830/4885KDM4E 2109/4885

“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.