SCHEMBL3549495

SCHEMBL3549495

O=c1c2ccccc2nc2nc(Cl)c3ccccc3n12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
LMNA P02545 4/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 5/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
NQO1 P15559 1/20 0.42
RECQL P46063 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HTT P42858 2/20 0.39
POLB P06746 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
SCHEMBL15180296 0.83 SMN1; SMN2 (0.47) KDM4ESMN1; SMN2LMNANPC1HPGD
SCHEMBL3547426 0.81 KDM4E (0.49) KDM4ESMN1; SMN2LMNARAB9ANPC1
SCHEMBL12987546 0.78 KDM4E (0.49) KDM4ESMN1; SMN2LMNARAB9ANPC1
SCHEMBL12987397 0.78 KDM4E (0.51) KDM4ESMN1; SMN2LMNARAB9ANPC1
SCHEMBL12987766 0.77 USP2 (0.49) KDM4ESMN1; SMN2LMNARAB9ANPC1
SCHEMBL18053137 0.72 KDM4E (0.49) KDM4ESMN1; SMN2LMNARAB9ANPC1
SCHEMBL30166463 0.72 KDM4E (0.49) KDM4ESMN1; SMN2LMNARAB9ANPC1
SCHEMBL12987742 0.72 MAT2A (0.47) KDM4ESMN1; SMN2LMNARAB9ANPC1
SCHEMBL12987924 0.72 AURKA (0.52) KDM4ESMN1; SMN2LMNARAB9ANPC1
SCHEMBL30879806 0.71 KDM4E (0.64) KDM4ESMN1; SMN2RAB9ANPC1KMT2A

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-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 2232/4885SMN1; SMN2 2002/4885LMNA 1938/4885

“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.