SCHEMBL17212401

SCHEMBL17212401

COc1ccc(-c2ccc3nc(-c4ccccc4)nc(N)c3c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.52
CYP1A2 P05177 5/20 0.52
CYP1B1 Q16678 5/20 0.52
PIK3CA P42336 4/20 0.52
PIK3CD O00329 2/20 0.52
PIK3CB P42338 2/20 0.52
PIK3CG P48736 2/20 0.52
PIP5K1C O60331 1/20 0.52
PI4KA P42356 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
ATM Q13315 2/20 0.48
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
KDM1A O60341 1/20 0.45
ATR Q13535 2/20 0.45
MAP4K4 O95819 2/20 0.45

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
SCHEMBL14475593 0.90 MEN1 (0.54) CYP1A2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL14475886 0.76 MEN1 (0.55) CYP1A2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL14475231 0.75 MEN1 (0.54) CYP1A2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL182791 0.75 PIK3CA (0.57) PIK3CAPIK3CDPIK3CBPIK3CGPIP5K1C
SCHEMBL182718 0.74 PIK3CD (0.61) CYP1A2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL20280955 0.74 WHR1 (0.71) CYP1A1CYP1A2CYP1B1ATMPDGFRB
SCHEMBL1422182 0.74 HSD17B1 (0.67) PIK3CAPIK3CDPIK3CBPIK3CGPIP5K1C
SCHEMBL18023076 0.74 POLB (0.49) CYP1A2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2156146 0.74 MEN1 (0.60) CYP1A2KDM1AMEN1USP2KMT2A
SCHEMBL14474980 0.73 ABCG2 (0.62) CYP1A1CYP1A2CYP1B1MAP4K4MEN1

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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP1A1 4677/4885CYP1A2 4552/4885CYP1B1 4455/4885

“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.