SCHEMBL4179942

SCHEMBL4179942

C=CCn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2nc3c(nc21)CCCC3

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ADORA3 P0DMS8 3/20 0.40
P2RX3 P56373 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
TP53 P04637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 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
SCHEMBL4183803 0.84 ADORA3 (0.51) SMN1; SMN2LMNAMAPTKDM4EADORA3
SCHEMBL4173690 0.83 ADORA3 (0.50) SMN1; SMN2LMNAMAPTKDM4EADORA3
SCHEMBL4181911 0.81 MAPT (0.42) SMN1; SMN2LMNAMAPTKDM4EADORA3
SCHEMBL4164606 0.81 TSHR (0.42) SMN1; SMN2LMNAMAPTKDM4EADORA3
SCHEMBL4171957 0.78 AVPR2 (0.41) LMNAMAPTP2RX3TP53
SCHEMBL4181990 0.76 CLPP (0.52) MAPTP2RX3TP53
SCHEMBL3233596 0.71 MAPT (0.48) SMN1; SMN2LMNAMAPTADORA3ADORA2A
SCHEMBL4186443 0.70 SMN1; SMN2 (0.43) SMN1; SMN2MAPTKDM4EADORA3P2RX3
SCHEMBL4088753 0.70 POLB (0.46) LMNAMAPTKDM4EP2RX3TP53
SCHEMBL11033311 0.69 CYP3A4 (0.70) SMN1; SMN2MAPTKDM4EADORA3P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088439-A1 Diazinane Compounds ASTRAZENECA AB (SE) 2009-04-02 US claimed
WO-2009041905-A1 PTERIDINE COMPOUNDS HAVING ACTIVITY ON THE GABA- RECEPTORS ASTRAZENECA AB (SE) 2009-04-02 WO claimed
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

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-20090088439-A1 Diazinane Compounds GABRB1, GRPR, GIPR SMN1; SMN2 882/4885LMNA 3724/4885MAPT 3675/4885

“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.