SCHEMBL4124640

SCHEMBL4124640

COc1ccc2c(C3CCOCC3)nnc(Cl)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HTR6 P50406 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SRC P12931 1/20 0.35
PDE10A Q9Y233 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
LRRK2 Q5S007 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
SCHEMBL4834726 0.90 PDE10A (0.40) NPC1RAB9AHTR6KDM4EALDH1A1
SCHEMBL4838463 0.88 MPI (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4118008 0.77 BRD4 (0.51)
SCHEMBL26690613 0.76 KDM4E (0.45) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL24469242 0.75 HDAC1 (0.37) PARP14PRKDC
SCHEMBL4124836 0.74 PARP14 (0.45) PARP14PDE4BKDM4EPDE10ALRRK2
SCHEMBL24469184 0.74 PRKDC (0.36) LRRK2PDE1APDE1BPDE1CPRKDC
SCHEMBL30660863 0.71 OPRL1 (0.35) CNR2PRKDC
SCHEMBL24469245 0.71 OPRL1 (0.35) CNR2PRKDC
SCHEMBL30014669 0.70 SMN1; SMN2 (0.46) NPC1RAB9AHTR6KDM4EALDH1A1

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-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
EP-1940823-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 EP disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 WO disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 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-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR PARP14 2046/4885PDE4A 1513/4885PDE4B 1459/4885

“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.