SCHEMBL6316658

SCHEMBL6316658

COc1ccc(CNC(=O)c2c(-c3cccnc3)noc2N)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.53
TAS1R1 Q7RTX1 2/20 0.53
CYP1A2 P05177 5/20 0.50
CYP3A4 P08684 5/20 0.50
CYP2D6 P10635 5/20 0.50
CLK4 Q9HAZ1 5/20 0.50
CYP2C19 P33261 4/20 0.50
CYP2C9 P11712 2/20 0.50
TSHR P16473 4/20 0.48
HSD17B10 Q99714 4/20 0.48
USP2 O75604 3/20 0.48
LMNA P02545 3/20 0.48
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ROCK2 O75116 1/20 0.46
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 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
SCHEMBL6316081 0.89 ALDH1A1 (0.55) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL6316978 0.89 TAS1R3 (0.52) TAS1R3TAS1R1TSHRLMNAALDH1A1
SCHEMBL6323388 0.86 HCRTR1 (0.56) TSHRHSD17B10LMNAALDH1A1TP53
SCHEMBL6316567 0.85 ALDH1A1 (0.49) TAS1R3TAS1R1TSHRLMNAALDH1A1
SCHEMBL6317485 0.83 HCRTR2 (0.59) CYP1A2CYP3A4CYP2C19USP2LMNA
SCHEMBL6316160 0.83 MAOB (0.46) TAS1R3TAS1R1TSHRHSD17B10ALDH1A1
SCHEMBL6315693 0.83 TAS1R3 (0.50) TAS1R3TAS1R1TSHRHSD17B10ALDH1A1
SCHEMBL6322403 0.81 TAS1R3 (0.51) TAS1R3TAS1R1TSHRHSD17B10USP2
SCHEMBL6316680 0.81 MAPT (0.56) TAS1R3TAS1R1TSHRHSD17B10LMNA
SCHEMBL6317566 0.80 KMT2A (0.60) HSD17B10ALDH1A1TP53KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 TAS1R3 4289/4885TAS1R1 4258/4885CYP1A2 4402/4885

“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.