SCHEMBL6315818

SCHEMBL6315818

CCc1ccc(-c2noc(N)c2C(=O)NCc2ccc(F)c(F)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 15/20 0.45
CHRM4 P08173 1/20 0.42
MAOB P27338 1/20 0.40
S1PR3 Q99500 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL6318905 0.90 CHRM4 (0.45) PDPK1CHRM4MAOBS1PR3
SCHEMBL6318253 0.87 LMNA (0.46) CHRM4MAOBTHRB
SCHEMBL6323982 0.87 PDPK1 (0.42) PDPK1CHRM4MAOBS1PR3
SCHEMBL6323549 0.87 CA1 (0.52) PDPK1CHRM4MAOBS1PR3CYP1A2
SCHEMBL6314978 0.86 KMT2A (0.47) CHRM4CYP1A2CYP2D6CYP2C19
SCHEMBL6323513 0.85 ADORA1 (0.47) PDPK1MAOB
SCHEMBL6317805 0.85 GAA (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6318516 0.85 KMT2A (0.46) MAOB
SCHEMBL6322173 0.84 ALDH1A1 (0.46) MAOBCYP1A2CYP2D6CYP2C19THRB
SCHEMBL6315208 0.84 GAA (0.55) CHRM4

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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 PDPK1 35/4885CHRM4 4046/4885MAOB 1851/4885

“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.