SCHEMBL10199562

SCHEMBL10199562

COc1ccc2nc(-c3ccccc3)cc(C(C)C)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
PLA2G2A P14555 2/20 0.59
ALDH1A1 P00352 2/20 0.58
ACACA Q13085 1/20 0.56
AURKA O14965 1/20 0.53
AURKB Q96GD4 1/20 0.53
LMNA P02545 2/20 0.52
HPGD P15428 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
TACR3 P29371 4/20 0.52
NQO2 P16083 1/20 0.50
CALCRL Q16602 1/20 0.49
ABCB1 P08183 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL13336764 0.90 KDM4E (0.68) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL14040372 0.85 KDM4E (0.63) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL30064616 0.82 KDM4E (0.75) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL28350370 0.82 KDM4E (0.75) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL10263305 0.81 KDM4E (0.73) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL13757621 0.81 SMN1; SMN2 (1.00) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL6534504 0.80 KDM4E (0.56) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL12768139 0.80 ACHE (0.56) KDM4ESMN1; SMN2ALDH1A1ACACALMNA
SCHEMBL6498067 0.79 KDM4E (0.71) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL12285330 0.79 KDM4E (0.71) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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 (2 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-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MAP4K5, MAP3K5, MAP4K2 KDM4E 99/4885SMN1; SMN2 3127/4885MEN1 1953/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 KDM4E 1104/4885SMN1; SMN2 3423/4885MEN1 2916/4885

“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.