SCHEMBL5995525

SCHEMBL5995525

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 3/20 0.43
▸ BTK Q06187 3/20 0.43
▸ KDR P35968 2/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ BLK P51451 2/20 0.43
▸ HDAC3 O15379 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ RIN1 Q13671 1/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ NTRK2 Q16620 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL5998218 0.91 BTK (0.39) LCKBTKKDRMAPK14BLK
SCHEMBL5995511 0.81 POLB (0.55) LCKBTKKDRMAPK14BLK
SCHEMBL5996066 0.81 LCK (0.45) LCKBTKKDRMAPK14BLK
SCHEMBL5994786 0.79 HSD11B1 (0.40) LCKBTKKDRMAPK14BLK
SCHEMBL5999306 0.78 LCK (0.42) LCKBTKKDRMAPK14BLK
SCHEMBL5997433 0.77 LCK (0.45) LCKBTKKDRMAPK14BLK
SCHEMBL5996933 0.77 LCK (0.58) LCKBTKKDRMAPK14KDM4E
SCHEMBL5997326 0.74 KMT2A (0.46) LCKKDRMAPK14KMT2AKDM4E
SCHEMBL2495023 0.73 BTK (0.69) LCKBTKKDRMAPK14BLK
SCHEMBL2499026 0.72 BTK (0.62) LCKBTKKDRMAPK14BLK

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 LCK 4/4885BTK 19/4885KDR 348/4885

“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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