SCHEMBL5998218

SCHEMBL5998218

CCN(C(=O)c1ccc(Nc2ncc(NC(=O)c3cc(O)ccc3Br)cn2)cc1)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.39
▸ BLK P51451 2/20 0.39
▸ LCK P06239 11/20 0.39
▸ MAPK14 Q16539 11/20 0.39
▸ KDR P35968 9/20 0.39
▸ ABL1 P00519 2/20 0.37
▸ RIN1 Q13671 1/20 0.37
▸ TEK Q02763 2/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ AURKA O14965 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ LYN P07948 1/20 0.35
▸ SRC P12931 1/20 0.35

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
SCHEMBL5995525 0.91 LCK (0.43) BTKBLKLCKMAPK14KDR
SCHEMBL5996066 0.90 LCK (0.45) BTKBLKLCKMAPK14KDR
SCHEMBL5994786 0.88 HSD11B1 (0.40) BTKBLKLCKMAPK14KDR
SCHEMBL5999306 0.82 LCK (0.42) BTKBLKLCKMAPK14KDR
SCHEMBL5997433 0.79 LCK (0.45) BTKBLKLCKMAPK14KDR
SCHEMBL5998211 0.79 KIT (0.52) ABL1SRC
SCHEMBL5996933 0.79 LCK (0.58) BTKLCKMAPK14KDRAURKA
SCHEMBL2495023 0.75 BTK (0.69) BTKBLKLCKMAPK14KDR
SCHEMBL2499026 0.74 BTK (0.62) BTKBLKLCKMAPK14KDR
SCHEMBL5996242 0.73 ALDH1A1 (0.48) LCKMAPK14KDRABL1RAB9A

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-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 (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-20060247250-A1 Pyrimidine inhibitors of kinases DTYMK, SRC, DCK BTK 19/4885BLK 123/4885LCK 4/4885

“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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