SCHEMBL3322156

SCHEMBL3322156

c1ccc(-c2nc(C3CC3)c[nH]2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
PKM P14618 3/20 0.44
ALPL P05186 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 1/20 0.44
METAP1 P53582 6/20 0.42
METAP2 P50579 5/20 0.42
LMNA P02545 5/20 0.42
HPGD P15428 1/20 0.42
MTOR P42345 1/20 0.42
KDM4E B2RXH2 6/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL8311607 0.77 KDM4E (0.56) SMN1; SMN2NPC1RAB9AL3MBTL1TDP1
SCHEMBL6924808 0.74 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AL3MBTL1TDP1
SCHEMBL14157267 0.74 NPC1 (0.47) SMN1; SMN2NPC1RAB9AL3MBTL1TDP1
SCHEMBL3327100 0.74 KDM4E (0.49) SMN1; SMN2NPC1RAB9AL3MBTL1TDP1
SCHEMBL5493272 0.72 NPC1 (0.54) SMN1; SMN2NPC1RAB9AL3MBTL1TDP1
SCHEMBL17280240 0.71 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AL3MBTL1TDP1
Pyridine SCHEMBL29135857 0.71 METAP1 (0.48) SMN1; SMN2NPC1RAB9AL3MBTL1TDP1
SCHEMBL24575850 0.70 METAP1 (0.46) SMN1; SMN2NPC1RAB9AL3MBTL1TDP1
SCHEMBL16534732 0.70 CBFB (0.47) SMN1; SMN2NPC1RAB9AL3MBTL1TDP1
SCHEMBL19691749 0.70 CBFB (0.49) SMN1; SMN2NPC1RAB9AL3MBTL1TDP1

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
WO-2010054253-A1 TRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BIOTIE THERAPIES GMBH (DE) 2010-05-14 WO disclosed
WO-2010054253-A1 TRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BIOTIE THERAPIES GMBH (DE) 2010-05-14 WO disclosed
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 US disclosed
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 US disclosed
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 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-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases PDE2A, PDE5A, PDE12 SMN1; SMN2 3194/4885NPC1 3772/4885RAB9A 3000/4885

“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.