SCHEMBL3461932

SCHEMBL3461932

CNC(=O)c1nc(-c2cccc(C(=O)NCC3CCCO3)c2)cnc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.56
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PIK3CD O00329 2/20 0.52
PIK3CA P42336 2/20 0.52
PIK3CG P48736 2/20 0.52
PIK3CB P42338 1/20 0.52
ATR Q13535 4/20 0.51
RAB9A P51151 2/20 0.50
PSMD14 O00487 1/20 0.50
STAMBP O95630 1/20 0.50

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
SCHEMBL3462291 0.86 LDHA (0.58) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460080 0.86 TYRO3 (0.60) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460077 0.85 TYRO3 (0.57) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460707 0.85 ALDH1A1 (0.58) HPGDKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL3462630 0.82 ATR (0.51) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3460894 0.82 PIK3CD (0.54) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461225 0.82 TYRO3 (0.70) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461053 0.82 SMN1; SMN2 (0.54) HPGDALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL3462690 0.80 TYRO3 (0.71) PIK3CDPIK3CAPIK3CGPIK3CBATR
SCHEMBL3461596 0.80 PIK3CD (0.72) 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 5 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
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 HPGD 1272/4885CYP1A2 3108/4885GAA 3885/4885

“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.