SCHEMBL6323448

SCHEMBL6323448

Nc1onc(-c2ccc(Br)s2)c1C(=O)NCc1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.43
EPHX2 P34913 13/20 0.41
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PPARG P37231 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
PTGES O14684 1/20 0.37

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
SCHEMBL6317384 0.89 NTRK1 (0.48) NTRK1EPHX2CACNA1GCACNA1HCACNA1I
SCHEMBL6317310 0.88 NTRK1 (0.45) NTRK1EPHX2CACNA1GCACNA1HCACNA1I
SCHEMBL6317499 0.87 HPGD (0.41) CA1CA2CA4CA7
SCHEMBL6323533 0.87 ALDH1A1 (0.47) CA1CA2CA4CA7
SCHEMBL6318170 0.85 ALDH1A1 (0.45) CNR1CNR2HDAC1HDAC6CA1
SCHEMBL6323488 0.85 ALDH1A1 (0.45) CACNA1GCACNA1HCACNA1ICA1CA2
SCHEMBL6317715 0.83 ADORA2A (0.42) CA1CA2CA4CA7
SCHEMBL6317671 0.83 NPC1 (0.52) HDAC1
SCHEMBL6324462 0.83 GAA (0.46) CA1CA2CA4CA7
SCHEMBL6316417 0.82 HDAC1 (0.43) HDAC3HDAC1HDAC2HDAC6CA1

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 5 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

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 NTRK1 1849/4885EPHX2 4156/4885CACNA1G 4013/4885

“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.