SCHEMBL3322110

SCHEMBL3322110

Cc1c[nH]c(-c2ccccc2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
DCUN1D1 Q96GG9 2/20 0.47
APOBEC3G Q9HC16 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GPR55 Q9Y2T6 1/20 0.46
HPGD P15428 2/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 1/20 0.44
ALPL P05186 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 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
SCHEMBL16481978 0.86 IDO1 (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29565108 0.83 KMO (0.38) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL4345831 0.82 HPGD (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL24360032 0.81 DCUN1D1 (0.50) GAAALDH1A1KDM4EDCUN1D1NPC1
SCHEMBL4591602 0.79 KDM4E (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3317224 0.79 ALDH1A1 (0.50) ALDH1A1RAB9APOLBHSD11B1CXCR2
SCHEMBL2432224 0.78 KDM4E (0.57) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1264137 0.78 DCUN1D1 (0.47) GAAALDH1A1KDM4EDCUN1D1GPR55
SCHEMBL8784700 0.78 GAA (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29724732 0.76 KDM4E (0.48) GAAALDH1A1KDM4EHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US disclosed
WO-2010054253-A1 TRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BIOTIE THERAPIES GMBH (DE) 2010-05-14 WO disclosed
WO-2010054260-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BIOTIE THERAPIES GMBH (DE) 2010-05-14 WO disclosed
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 US disclosed
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES WYETH (US) 2010-05-13 US disclosed
WO-2009070583-A1 PYRIDO[3,2-E]PYRAZINES, PROCESS FOR PREPARING THE SAME, AND THEIR USE AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2009-06-04 WO disclosed
US-20090143361-A1 Pyrido[3,2-E]Pyrazines, Process For Preparing The Same, And Their Use As Inhibitors Of Phosphodiesterase 10 ELBION GMBH (DE) 2009-06-04 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 (4 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-20090143361-A1 Pyrido[3,2-E]Pyrazines, Process For Preparing The Same, And Their Use As Inhibitors Of Phosphodiesterase 10 PDE12, PDE5A, PDE3A MGAM 1358/4885GAA 721/4885SI 440/4885
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1H4 MGAM 4515/4885GAA 1847/4885SI 834/4885
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES PDE2A, PDE5A, PDE3A MGAM 343/4885GAA 192/4885SI 742/4885
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases PDE2A, PDE5A, PDE12 MGAM 581/4885GAA 220/4885SI 1299/4885

“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.