SCHEMBL6314838

SCHEMBL6314838

CC1CCCCC1NC(=O)c1c(-c2cccnc2)noc1N

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 11/20 0.46
TAS1R1 Q7RTX1 11/20 0.46
TAS1R2 Q8TE23 11/20 0.46
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GBA1 P04062 1/20 0.40
GABRA5 P31644 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL6317454 0.86 DYRK1A (0.49) POLBALDH1A1GABRA5TSHRSMN1; SMN2
SCHEMBL6324531 0.85 DYRK1A (0.50) POLBALDH1A1GABRA5SMN1; SMN2
SCHEMBL6315727 0.85 DYRK1A (0.50) POLBALDH1A1GABRA5SMN1; SMN2
SCHEMBL6316388 0.84 DYRK1A (0.49) POLBALDH1A1KDM4EL3MBTL1GABRA5
SCHEMBL6316205 0.81 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2
SCHEMBL6323987 0.79 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2POLBALDH1A1
SCHEMBL6322066 0.78 GABRA5 (0.50) ALDH1A1GABRA5
SCHEMBL6315521 0.77 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2POLBKDM4E
SCHEMBL6316989 0.77 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2POLB
SCHEMBL6324017 0.77 GABRA5 (0.55) ALDH1A1KDM4EL3MBTL1GABRA5

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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US 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 4258/4885TAS1R2 4472/4885

“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.