SCHEMBL9905024

SCHEMBL9905024

COc1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)cc4c32)cn1.CS(=O)(=O)O

nearest known ligand 0.61

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA known ✓ P42336 13/20 0.61
PIK3CD known ✓ O00329 7/20 0.61
PIK3CB known ✓ P42338 6/20 0.61
PIK3CG known ✓ P48736 6/20 0.61
PIK3R1 known ✓ P27986 1/20 0.45
PIK3R5 known ✓ Q8WYR1 1/20 0.45
MTOR P42345 15/20 0.61
PIK3C3 Q8NEB9 2/20 0.61
CSNK2A2 P19784 1/20 0.61
FECH P22830 1/20 0.61
CLK1 P49759 1/20 0.61
GSK3A P49840 1/20 0.61
DYRK1A Q13627 1/20 0.61
MELK Q14680 1/20 0.61
MYLK3 Q32MK0 1/20 0.61
PIP4K2C Q8TBX8 1/20 0.61
TP53RK Q96S44 1/20 0.61
RPTOR Q8N122 2/20 0.55
MLST8 Q9BVC4 2/20 0.55
ATM Q13315 8/20 0.49

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
SCHEMBL9905022 1.00 MTOR (0.61) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL9905060 0.95 MTOR (0.66) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL9905112 0.90 PIK3CA (0.48) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL9905117 0.90 PIK3CA (0.48) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL9905167 0.88 MTOR (0.56) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL9905380 0.86 MTOR (0.64) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL9905106 0.85 PIK3CA (0.55) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL9905281 0.85 PIK3CA (0.52) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL9905279 0.83 PIK3CA (0.51) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2068184 0.83 MTOR (0.58) MTORPIK3CAPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310374-A1 Substituted Imidazoquinoline Derivatives PIRAMAL ENTERPRISES LIMITED` (IN) 2013-11-21 US claimed
EP-2648733-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES Piramal Enterprises Limited (IN) 2013-10-16 EP claimed
WO-2012077031-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-06-14 WO claimed
US-20130310374-A1 Substituted Imidazoquinoline Derivatives PIRAMAL ENTERPRISES LIMITED` (IN) 2013-11-21 US disclosed
EP-2648733-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES Piramal Enterprises Limited (IN) 2013-10-16 EP disclosed
WO-2012077031-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-06-14 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-20130310374-A1 Substituted Imidazoquinoline Derivatives FLT4, CDK4, CDK2 PIK3CA 154/4885PIK3CD 262/4885PIK3CB 225/4885

“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.