SCHEMBL4186443

SCHEMBL4186443

C=CCn1c(N)c(N)c(=O)n(Cc2ccc(Cl)cc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 3/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
P2RX3 P56373 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2D6 P10635 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4181999 0.84 SMN1; SMN2 (0.40) SMN1; SMN2CYP3A4KDM4ECYP1A2ALDH1A1
SCHEMBL4759502 0.80 CYP3A4 (0.58) SMN1; SMN2CYP3A4KDM4ECYP1A2ALDH1A1
SCHEMBL3235196 0.79 NPSR1 (0.56) ALDH1A1P2RX3MAPTADORA3ADORA2A
SCHEMBL4189223 0.78 HPGD (0.46) SMN1; SMN2CYP3A4KDM4ECYP1A2ALDH1A1
SCHEMBL11033311 0.77 CYP3A4 (0.70) SMN1; SMN2CYP3A4KDM4ECYP1A2GAA
SCHEMBL11719377 0.73 P2RX3 (0.54) SMN1; SMN2KDM4EALDH1A1P2RX3MEN1
SCHEMBL10769766 0.72 ALDH1A1 (0.50) SMN1; SMN2CYP3A4KDM4EALDH1A1HPGD
SCHEMBL10616188 0.71 CYP3A4 (0.50) SMN1; SMN2CYP3A4KDM4ECYP1A2ALDH1A1
SCHEMBL4179942 0.70 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1GAAHPGD
SCHEMBL17154512 0.69 CYP3A4 (0.57) SMN1; SMN2CYP3A4KDM4ECYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 882/4885CYP3A4 1631/4885KDM4E 3842/4885

“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.