SCHEMBL509768

SCHEMBL509768

Cc1nc(N)c2ccc(N)cc2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
CASP6 P55212 1/20 0.37
DHFR P00374 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MDM4 O15151 1/20 0.35
HTT P42858 3/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADRA2A P08913 2/20 0.34
MEN1 O00255 1/20 0.34
F2 P00734 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAOA P21397 1/20 0.34

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
Hydrochloric Acid SCHEMBL508815 0.90 LMNA (0.36) LMNAKDM4EPOLBCASP6DHFR
SCHEMBL30977150 0.86 LMNA (0.38) LMNAKDM4EPOLBCASP6ALDH1A1
SCHEMBL12070710 0.77 KDM4E (0.48) LMNAKDM4EDHFRALDH1A1CASP1
SCHEMBL12774935 0.75 ALDH1A1 (0.48) LMNAKDM4EPOLBALDH1A1CASP1
SCHEMBL12303283 0.75 ALDH1A1 (0.48) LMNAKDM4EPOLBCASP6ALDH1A1
SCHEMBL1857081 0.72 ACHE (0.49) LMNAKDM4EPOLBCASP6ALDH1A1
SCHEMBL27931468 0.72 KDM4E (0.46) LMNAKDM4EPOLBCASP6ALDH1A1
SCHEMBL11365189 0.71 KDM4E (0.41) LMNAKDM4EPOLBALDH1A1CASP1
SCHEMBL28001355 0.69 KDM4E (0.47) LMNAKDM4EPOLBCASP6DHFR
SCHEMBL27592978 0.69 KDM4E (0.47) LMNAKDM4EPOLBCASP6DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120029012-A1 5, 6, or 7-SUBSTITUTED -3-(HETERO) ARYLISOQUINOLINAMINE DERIVATIVES AND THERAPEUTIC USE THEREOF FANCD2, NRAS, CCND2 LMNA 2593/4885KDM4E 2109/4885POLB 1131/4885

“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.