SCHEMBL5068465

SCHEMBL5068465

COc1cccc(-c2cc3cc(N(C)C)ccc3c(N)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
GLA P06280 1/20 0.45
MAP4K4 O95819 2/20 0.44
ADORA2A P29274 3/20 0.44
ADORA1 P30542 2/20 0.44
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
PIK3CG P48736 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
SCHEMBL22878824 0.90 KDM4E (0.45) KDM4EGLAMAP4K4ADORA2AADORA1
SCHEMBL30663422 0.90 KDM4E (0.45) KDM4EGLAMAP4K4ADORA2AADORA1
Hydrochloric Acid SCHEMBL3842983 0.89 KDM4E (0.44) KDM4EGLAMAP4K4ADORA2AADORA1
SCHEMBL509538 0.83 SCN2A (0.48) KDM4EGLAMAP4K4ADORA2AADORA1
SCHEMBL509600 0.81 ADORA2A (0.53) KDM4EGLAMAP4K4ADORA2AADORA1
SCHEMBL509022 0.79 RAD52 (0.52) KDM4EGLAMAP4K4ADORA2AADORA1
SCHEMBL508690 0.78 USP2 (0.43) KDM4EGLAADORA2AADORA1USP2
SCHEMBL508691 0.77 NPC1 (0.57) KDM4EADORA1CYP1A2ALOX15MAPK1
Hydrochloric Acid SCHEMBL5071209 0.77 DHFR (0.44) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL11373416 0.77 KDM4E (0.58) 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 3 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-2099765-B1 5, 6, OR 7-SUBSTITUTED-3-ARYLISOQUINOLINAMINE DERIVATIVES AS ANTITUMOR AGENTS REXAHN PHARMACEUTICALS INC (US) 2012-08-29 EP 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 (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-20080182871-A1 5, 6, or 7-Substituted - 3-(hetero) arylisoquinolinamine derivatives and therapeutic use thereof FANCD2, NRAS, CCND2 KDM4E 2109/4885GLA 2464/4885MAP4K4 1427/4885

“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.