SCHEMBL4125315

SCHEMBL4125315

COc1ccc2c(C3CCN(Cc4ccccc4)CC3)n[nH]c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.55
GSK3B P49841 2/20 0.52
DRD2 P14416 3/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
SIGMAR1 Q99720 4/20 0.49
HTR1A P08908 2/20 0.48
HTR7 P34969 2/20 0.48
HTR6 P50406 2/20 0.48
ACHE P22303 5/20 0.48
CCR8 P51685 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48

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
SCHEMBL8273820 0.85 ROCK2 (0.55) DRD2DRD4DRD3ACHEHTR2A
SCHEMBL4834839 0.82 DYRK1A (0.47) GSK3B
SCHEMBL4118008 0.80 BRD4 (0.51) BRD4GSK3BDRD2SIGMAR1ACHE
SCHEMBL4843527 0.80 DYRK1A (0.45) GSK3B
SCHEMBL12846295 0.78 SMPD1 (0.55) GSK3BSIGMAR1
SCHEMBL4124836 0.77 PARP14 (0.45) GSK3B
SCHEMBL4833670 0.72 PARP1 (0.66) BRD4
SCHEMBL14638351 0.72 GSK3B (0.57) GSK3B
SCHEMBL28172286 0.71 SIGMAR1 (0.69) DRD2SIGMAR1ACHE
SCHEMBL4841413 0.71 PARP1 (0.51) GSK3B

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-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 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-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR BRD4 753/4885GSK3B 2930/4885DRD2 1110/4885

“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.