SCHEMBL17523414

SCHEMBL17523414

COc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc(NC(C)=O)c4)cc23)c1C

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.63
▸ BTK Q06187 7/20 0.53
▸ ITK Q08881 7/20 0.53
▸ AAK1 Q2M2I8 1/20 0.53
▸ NTRK1 P04629 1/20 0.53
▸ DYRK1A Q13627 1/20 0.51
▸ DYRK1B Q9Y463 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ IGF1R P08069 1/20 0.49
▸ CHEK1 O14757 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ NEK2 P51955 1/20 0.47
▸ MAPK15 Q8TD08 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ AXL P30530 1/20 0.46
▸ PLCG1 P19174 2/20 0.46

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
SCHEMBL414814 0.93 KIT (0.63) KITBTKITKAAK1NTRK1
SCHEMBL17319203 0.86 KIT (0.61) KITBTKITKAAK1NTRK1
SCHEMBL412758 0.85 KIT (0.63) KITBTKITKAAK1NTRK1
SCHEMBL857051 0.84 KIT (0.57) KITBTKITKAAK1NTRK1
SCHEMBL857930 0.82 NTRK1 (0.60) KITBTKITKNTRK1IGF1R
SCHEMBL414770 0.81 CYP2D6 (0.59) AAK1CYP2D6NEK2CYP3A4CYP2C19
SCHEMBL857556 0.81 NTRK1 (0.57) KITBTKITKNTRK1DYRK1A
SCHEMBL415590 0.80 KIT (0.61) KITBTKITKAAK1NTRK1
SCHEMBL414812 0.80 AAK1 (0.63) KITAAK1CYP2D6NEK2CYP3A4
SCHEMBL411253 0.78 NTRK1 (0.58) KITBTKITKNTRK1DYRK1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046627-A1 ITK and JAK Kinase Inhibitors ARRIEN PHARMACEUTICALS LLC 2016-02-18 — — 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-20160046627-A1 ITK and JAK Kinase Inhibitors JAK3, ITK, JAK2 KIT 1308/4885BTK 58/4885ITK 2/4885

“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.

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