SCHEMBL6315439

SCHEMBL6315439

Nc1onc(-c2ccc(Br)s2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
MLYCD O95822 1/20 0.42
TACR1 P25103 14/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
P2RX1 P51575 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39
MTOR P42345 1/20 0.38
PTGER4 P35408 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
SCHEMBL6318267 0.92 ADORA1 (0.46) MLYCDPTGER4
SCHEMBL6316417 0.91 HDAC1 (0.43) CA1CA2CA4CA7
SCHEMBL6321669 0.89 TACR1 (0.48) MAOBMLYCDTACR1CA1CA2
SCHEMBL6315359 0.87 TACR1 (0.42) MAOBMLYCDTACR1CA1CA2
SCHEMBL6324462 0.83 GAA (0.46) CA1CA2CA4CA7
SCHEMBL6323982 0.83 PDPK1 (0.42) MAOBCA1CA2CA4CA7
SCHEMBL6321659 0.83 EPHX2 (0.43) CA1CA2CA4CA7PTGER4
SCHEMBL6322797 0.82 ALDH1A1 (0.46) MAOBCA1CA2CA4CA7
SCHEMBL6324743 0.82 MEN1 (0.49) MLYCDCA1CA2CA4CA7
SCHEMBL6315784 0.82 KMT2A (0.47) CA1CA2CA4CA7

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 MAOB 1851/4885MLYCD 1582/4885TACR1 4879/4885

“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.