SCHEMBL5998211

SCHEMBL5998211

O=C(NCCN1CCCC1)c1ccc(Nc2ncc(NC(=O)c3cc(O)ccc3Br)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.52
▸ BRAF P15056 2/20 0.51
▸ ABL1 P00519 2/20 0.48
▸ IKBKB O14920 1/20 0.46
▸ CHUK O15111 1/20 0.46
▸ IKBKG Q9Y6K9 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ NAMPT P43490 2/20 0.44
▸ SRC P12931 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ATR Q13535 2/20 0.43
▸ SUV39H1 O43463 1/20 0.43
▸ GLA P06280 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ POLB P06746 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
SCHEMBL5995511 0.90 POLB (0.55) KITBRAFIKBKBCHUKIKBKG
SCHEMBL5996051 0.89 ABL1 (0.55) KITBRAFABL1IKBKBCHUK
SCHEMBL5994762 0.88 ABL1 (0.53) KITBRAFABL1IKBKBCHUK
SCHEMBL5999296 0.80 KIT (0.54) KITBRAFABL1IKBKBCHUK
SCHEMBL5998218 0.79 BTK (0.39) ABL1SRC
SCHEMBL5997421 0.79 SRC (0.57) KITBRAFABL1IKBKBCHUK
SCHEMBL5996926 0.79 LCK (0.61) KITBRAFABL1IKBKBCHUK
SCHEMBL2497661 0.77 BRAF (0.60) KITBRAFIKBKBCHUKIKBKG
SCHEMBL5996220 0.75 SRC (0.56) ABL1SRCALDH1A1
SCHEMBL5997190 0.74 SRC (0.56) BRAFABL1SRCPOLB

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-20110243999-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS TARGEGEN INC. 2011-10-06 — — US disclosed
US-20060247250-A1 Pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2006-11-02 — — 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 (2 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-20060247250-A1 Pyrimidine inhibitors of kinases DTYMK, SRC, DCK KIT 209/4885BRAF 125/4885ABL1 12/4885
US-20110243999-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS AQP3, AQP1, AQP4 KIT 1800/4885BRAF 328/4885ABL1 4620/4885

“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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