SCHEMBL6323374

SCHEMBL6323374

Nc1onc(-c2ccc(Cl)o2)c1C(=O)NC1CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
RECQL P46063 1/20 0.47
TAS1R3 Q7RTX0 7/20 0.47
TAS1R1 Q7RTX1 7/20 0.47
TAS1R2 Q8TE23 6/20 0.47
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
PTGS1 P23219 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MLLT3 P42568 1/20 0.41
MLLT1 Q03111 1/20 0.41

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
SCHEMBL6322801 0.94 TAS1R3 (0.55) CA1CA2CA4CA7RECQL
SCHEMBL6323161 0.88 ALDH1A1 (0.52) RECQLTAS1R3TAS1R1TAS1R2TSHR
SCHEMBL6315372 0.86 TAS1R3 (0.46) RECQLTAS1R3TAS1R1TAS1R2TSHR
SCHEMBL6319067 0.84 RECQL (0.51) RECQLTAS1R3TAS1R1TAS1R2TSHR
SCHEMBL6317860 0.83 ALDH1A1 (0.60) RECQLTAS1R3TAS1R1TAS1R2TSHR
SCHEMBL6317555 0.82 CA1 (0.50) CA1CA2CA4CA7RECQL
SCHEMBL6316210 0.81 TAS1R3 (0.54) RECQLTAS1R3TAS1R1TAS1R2TSHR
SCHEMBL6316840 0.81 RECQL (0.49) RECQLTAS1R3TAS1R1TAS1R2TSHR
SCHEMBL6317913 0.81 MLLT3 (0.41) CA1CA2CA7RECQLTAS1R3
SCHEMBL6316268 0.80 RECQL (0.48) RECQLTAS1R3TAS1R1TAS1R2TSHR

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 CA1 2406/4885CA2 2764/4885CA4 4029/4885

“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.