SCHEMBL6288401

SCHEMBL6288401

COc1ccc(-c2nc(-n3cncn3)c3c(C)nc(C)n3n2)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
CRHR1 P34998 5/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOB P27338 1/20 0.35
MAOA P21397 1/20 0.35
GRM7 Q14831 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
HCRTR1 O43613 1/20 0.34
MAPT P10636 1/20 0.34
PABPC1 P11940 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 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
SCHEMBL6288657 0.84 SMN1; SMN2 (0.42) HSD17B10HPGDALDH1A1GLASMN1; SMN2
SCHEMBL6288587 0.82 GRM7 (0.44) SMN1; SMN2GRM7NPC1RAB9AMAPT
SCHEMBL6291399 0.82 POLB (0.37) HSD17B10HPGDALDH1A1GLASMN1; SMN2
SCHEMBL6288550 0.79 GRM7 (0.41) GRM7NPC1KMT2AMAPT
SCHEMBL6288381 0.74 LMNA (0.34) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5916392 0.74 PDE2A (0.36) HPGD
SCHEMBL6291762 0.74 CRHR1 (0.42) HSD17B10TSHRCRHR1HPGDHCRTR1
SCHEMBL5620144 0.73 AHR (0.36) HPGDALDH1A1NPC1RAB9AMAPT
SCHEMBL8361757 0.73 CYP11B2 (0.32)
SCHEMBL6291357 0.72 SMN1; SMN2 (0.39) HSD17B10HPGDALDH1A1GLASMN1; SMN2

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 HSD17B10 3013/4885TSHR 2402/4885CRHR1 3800/4885

“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.