SCHEMBL3235196

SCHEMBL3235196

CCCn1c(N)c(N)c(=O)n(Cc2ccc(Cl)cc2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
ADORA3 P0DMS8 1/20 0.44
P2RX3 P56373 5/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.42
ADORA2A P29274 2/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
UBE2N P61088 1/20 0.40

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
SCHEMBL3239986 0.84 NPSR1 (0.52) NPSR1ADORA3P2RX3ALDH1A1LMNA
SCHEMBL14016195 0.81 ALDH1A1 (0.53) ADORA3ALDH1A1LMNAADORA2AADORA2B
SCHEMBL1061386 0.79 ALDH1A1 (0.51) NPSR1ALDH1A1LMNAMAPTADORA2A
SCHEMBL4186443 0.79 SMN1; SMN2 (0.43) ADORA3P2RX3ALDH1A1MAPTADORA2A
SCHEMBL3977468 0.79 SMN1; SMN2 (0.48) ADORA3ALDH1A1LMNAMAPTADORA2A
Hydrochloric Acid SCHEMBL1565880 0.78 ALDH1A1 (0.50) NPSR1ALDH1A1LMNAMAPTADORA2A
SCHEMBL3240884 0.77 HPGD (0.54) NPSR1ADORA3P2RX3ADORA2A
SCHEMBL9402377 0.77 ADORA2B (0.52) NPSR1ALDH1A1LMNAADORA2AADORA2B
SCHEMBL3241382 0.75 PDE4A (0.71) ADORA3ADORA2AADORA2BNPC1
SCHEMBL4414242 0.74 ALDH1A1 (0.56) NPSR1ADORA3ALDH1A1LMNAADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 EP disclosed
US-20090088439-A1 Diazinane Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088439-A1 Diazinane Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088439-A1 Diazinane Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
WO-2009041905-A1 PTERIDINE COMPOUNDS HAVING ACTIVITY ON THE GABA- RECEPTORS ASTRAZENECA AB (SE) 2009-04-02 WO disclosed
WO-2009041905-A1 PTERIDINE COMPOUNDS HAVING ACTIVITY ON THE GABA- RECEPTORS ASTRAZENECA AB (SE) 2009-04-02 WO disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 WO disclosed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 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 (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-20090088439-A1 Diazinane Compounds GABRB1, GRPR, GIPR NPSR1 48/4885ADORA3 322/4885P2RX3 156/4885
US-20090023704-A1 Novel Compounds 737 GRPR, GABRB1, GABBR1 NPSR1 47/4885ADORA3 177/4885P2RX3 57/4885

“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.