SCHEMBL3547426

SCHEMBL3547426

O=c1c2ccccc2nc2nc(O)c3ccccc3n12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 3/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 6/20 0.46
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.43
NQO1 P15559 1/20 0.42
POLB P06746 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL3549495 0.81 KDM4E (0.49) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL12987546 0.78 KDM4E (0.49) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL12987397 0.78 KDM4E (0.51) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL12987766 0.77 USP2 (0.49) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL11481100 0.74 KDM4E (0.48) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL12987924 0.72 AURKA (0.52) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL12987742 0.72 MAT2A (0.47) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL23869757 0.71 APOBEC3G (0.57) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL30166499 0.71 APOBEC3G (0.57) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL12631906 0.70 ALDH1A1 (0.45) KDM4ENPC1RAB9ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855214-B2 Fused cyclic systems useful as inhibitors of TEC family protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-21 US disclosed
US-7855214-B2 Fused cyclic systems useful as inhibitors of TEC family protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-21 US disclosed
US-7855214-B2 Fused cyclic systems useful as inhibitors of TEC family protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-21 US disclosed
US-20050209255-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-09-22 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-20050209255-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K1 KDM4E 2232/4885NPC1 2378/4885RAB9A 1875/4885

“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.