SCHEMBL3461053

SCHEMBL3461053

CNC(=O)c1nc(-c2cccc(C(=O)NCC3COc4ccccc4O3)c2)cnc1N

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
HPGD P15428 1/20 0.54
PIK3CD O00329 4/20 0.50
PIK3CA P42336 4/20 0.50
PIK3CG P48736 4/20 0.50
PIK3CB P42338 2/20 0.49
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
ATR Q13535 7/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
ALOX12 P18054 1/20 0.47
LMNA P02545 1/20 0.47
TYRO3 Q06418 1/20 0.46
MTNR1A P48039 1/20 0.46

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
SCHEMBL3460080 0.82 TYRO3 (0.60) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461932 0.82 HPGD (0.56) SMN1; SMN2NPC1RAB9AHPGDPIK3CD
SCHEMBL3462291 0.80 LDHA (0.58) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460077 0.79 TYRO3 (0.57) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461596 0.78 PIK3CD (0.72) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461225 0.78 TYRO3 (0.70) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460521 0.78 AURKA (0.59) SMN1; SMN2NPC1HPGDPIK3CDPIK3CA
SCHEMBL3460860 0.78 AURKA (0.52) RAB9AHPGDPIK3CDPIK3CAPIK3CG
SCHEMBL3459849 0.77 PIK3CD (0.60) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3462630 0.77 ATR (0.51) PIK3CDPIK3CAPIK3CGPIK3CBATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP claimed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US claimed
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 WO 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 SMN1; SMN2 4557/4885NPC1 4361/4885RAB9A 2909/4885

“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.