SCHEMBL6288531

SCHEMBL6288531

COc1ccc(-c2nc(-n3cncn3)c3c(C)nc(C4CCCC4)n3n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GLA P06280 1/20 0.36
CNR2 P34972 3/20 0.34
TNK2 Q07912 3/20 0.34
PDE5A O76074 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
ADORA3 P0DMS8 3/20 0.33
ADORA1 P30542 3/20 0.33
CNR1 P21554 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL6288398 0.89 ALDH1A1 (0.42) PDE10AALDH1A1HPGDKDM4ENPC1
SCHEMBL6291358 0.88 CNR2 (0.35) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL6288657 0.84 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL6291357 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL6288422 0.78 BRD4 (0.47) ALDH1A1RAB9AHSD17B10CNR2PDE5A
SCHEMBL6291399 0.73 POLB (0.37) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL6288381 0.72 LMNA (0.34) SMN1; SMN2ALDH1A1KDM4ENPC1TP53
SCHEMBL6288587 0.72 GRM7 (0.44) SMN1; SMN2NPC1TP53RAB9AMAPT
SCHEMBL6291858 0.71 MEN1 (0.40) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL5620144 0.71 AHR (0.36) ALDH1A1HPGDKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936609-B2 Imidazotriazines for use as phosphodiesterase inhibitors BAYER HEALTHCARE AG (DE) 2005-08-30 US disclosed
US-20040249148-A1 Imidazotriazines for use as phosphodiesterase inhibitors BAYER HEALTHCARE AG (DE) 2004-12-09 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 (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-20040249148-A1 Imidazotriazines for use as phosphodiesterase inhibitors PDE3A, PDE2A, PDE4A PDE10A 20/4885SMN1; SMN2 553/4885ALDH1A1 1467/4885

“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.