SCHEMBL508360

SCHEMBL508360

COc1ccc(-c2cc3cc(C)ccc3c(N)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.56
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
KDM4E B2RXH2 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
EGFR P00533 1/20 0.54
KDR P35968 1/20 0.54
DYRK1A Q13627 1/20 0.51
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
GRM2 Q14416 1/20 0.45
PKM P14618 2/20 0.45
ACP1 P24666 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL509491 0.88 NPC1 (0.43) SYKNPC1RAB9AKDM4EMEN1
SCHEMBL509858 0.88 SYK (0.56) SYKNPC1RAB9AKDM4EMEN1
SCHEMBL509564 0.88 ADORA2A (0.47) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL509538 0.85 SCN2A (0.48) SYKNPC1RAB9AKDM4EALDH1A1
SCHEMBL509297 0.85 KDM4E (0.54) SYKNPC1RAB9AKDM4EMAPT
SCHEMBL509771 0.83 KDM4E (0.52) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL509700 0.82 RAD52 (0.48) SYKNPC1KDM4EDYRK1AMAPT
SCHEMBL508691 0.81 NPC1 (0.57) SYKNPC1RAB9AKDM4EMEN1
SCHEMBL509551 0.80 RAD52 (0.52) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL25377685 0.78 SYK (0.54) SYKNPC1RAB9AKDM4EMEN1

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 SYK 1871/4885NPC1 675/4885RAB9A 866/4885
US-20120029012-A1 5, 6, or 7-SUBSTITUTED -3-(HETERO) ARYLISOQUINOLINAMINE DERIVATIVES AND THERAPEUTIC USE THEREOF FANCD2, NRAS, CCND2 SYK 1871/4885NPC1 675/4885RAB9A 866/4885

“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.