SCHEMBL6288434

SCHEMBL6288434

COc1ccc(-c2nn3c(C)nc(C)c3c(=S)[nH]2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
MPI P34949 1/20 0.48
GFER P55789 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSD17B10 Q99714 2/20 0.44
ALOX5 P09917 1/20 0.43
EPHX2 P34913 1/20 0.43
SMPD3 Q9NY59 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
BRD4 O60885 1/20 0.41
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.39
GUSB P08236 1/20 0.39
PARP1 P09874 1/20 0.39
SLC9A1 P19634 1/20 0.39

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
SCHEMBL6287006 0.85 PDE5A (0.53) KDM4EALDH1A1GAAMPIGFER
SCHEMBL6291382 0.82 ALDH1A1 (0.45) KDM4EALDH1A1GAAMPIGFER
SCHEMBL6288690 0.75 PDE5A (0.50) GUSB
SCHEMBL6291723 0.74 CCNE2 (0.51) KDM4EALDH1A1GAAMPIGFER
SCHEMBL6291287 0.72 PDE2A (0.47) KDM4EALDH1A1ALOX5EPHX2KMT2A
SCHEMBL6291830 0.70 PDE2A (0.45) KDM4EALDH1A1KMT2AHPGDGUSB
SCHEMBL6291835 0.69 PDE5A (0.59) KDM4EALDH1A1HSD17B10KMT2ANPC1
SCHEMBL6288598 0.69 PDE2A (0.46) KDM4EALDH1A1KMT2AHPGDGUSB
SCHEMBL8978650 0.68 KDM4E (0.58) KDM4EALDH1A1GAAMPIGFER
SCHEMBL6291850 0.68 PDE5A (0.53) KDM4EALDH1A1GAANPC1RAB9A

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 KDM4E 2229/4885ALDH1A1 1467/4885GAA 152/4885

“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.