SCHEMBL4834726

SCHEMBL4834726

COc1ccc2c(C3CC3)nnc(Cl)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.40
MAT2A P31153 1/20 0.38
DYRK1A Q13627 2/20 0.37
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 5/20 0.36
BCHE P06276 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 2/20 0.36
CHRM1 P11229 1/20 0.36
JUND P17535 1/20 0.36

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
SCHEMBL4838463 0.94 MPI (0.39) PDE10ADYRK1ACYP17A1CYP11B1CYP11B2
SCHEMBL4124640 0.90 PARP14 (0.39) PDE10ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4118008 0.82 BRD4 (0.51) ACHEPOLBMEN1HTR2AHTR2C
SCHEMBL26690613 0.82 KDM4E (0.45) DYRK1ACYP17A1CYP11B1CYP11B2NPC1
SCHEMBL30014669 0.76 SMN1; SMN2 (0.46) DYRK1ACYP17A1CYP11B1CYP11B2NPC1
SCHEMBL2305992 0.76 SMN1; SMN2 (0.46) DYRK1ACYP17A1CYP11B1CYP11B2NPC1
SCHEMBL4838830 0.75 PDE4A (0.41) HTR2C
SCHEMBL742551 0.73 RAB9A (0.39) DYRK1ANPC1RAB9AHTTHSD17B10
SCHEMBL2306186 0.72 SMN1; SMN2 (0.42) DYRK1ACYP17A1CYP11B1CYP11B2NPC1
SCHEMBL4124808 0.72 PDE4A (0.45) DYRK1AHSD17B10KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423030-B2 1-amino-phthalazine derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2008-09-09 US disclosed
EP-1740657-B1 CATIONIC NAPHTHYLDIAZO DYES AND AGENTS CONTAINING SAID DYES USED TO COLOUR KERATIN FIBRES WELLA AG (DE) 2007-09-12 EP disclosed
EP-1737840-B1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-09-12 EP disclosed
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-03 US disclosed
EP-1737840-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-03 EP disclosed
WO-2005103033-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-03 WO 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-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, GOT2 PDE10A 1250/4885MAT2A 704/4885DYRK1A 4800/4885

“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.