SCHEMBL509035

SCHEMBL509035

O=C(Nc1ccc(Cl)cc1)c1cnc(NC2CCN(C(=O)C=CCN3CCCC3)CC2)s1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.43
MAPK14 Q16539 2/20 0.43
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
BTK Q06187 10/20 0.39
HCK P08631 4/20 0.39
EGFR P00533 5/20 0.38
OGA O60502 1/20 0.38
CCNK O75909 5/20 0.38
CDK12 Q9NYV4 5/20 0.38
EPHX2 P34913 1/20 0.36

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
SCHEMBL509034 1.00 LCK (0.43) LCKMAPK14TP53MAPTBTK
SCHEMBL509174 0.89 LCK (0.46) LCKMAPK14TP53MAPTBTK
SCHEMBL509175 0.89 LCK (0.46) LCKMAPK14TP53MAPTBTK
SCHEMBL13360635 0.86 LCK (0.38) LCKMAPK14BTKHCKEGFR
SCHEMBL10187626 0.78 LCK (0.37) LCKMAPK14BTKHCKEGFR
SCHEMBL508541 0.78 ACHE (0.41) TP53MAPTBTKEGFRCCNK
SCHEMBL508540 0.78 ACHE (0.41) TP53MAPTBTKEGFRCCNK
SCHEMBL10188141 0.74 MEN1 (0.41) MAPT
SCHEMBL3353914 0.73 FLT3 (0.38) TP53MAPTEGFROGA
SCHEMBL13360637 0.73 NPSR1 (0.41) MAPTCCNKCDK12EPHX2

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-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2012-02-02 US disclosed
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2010-05-06 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-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors MAP3K20, MAP3K6, MAP3K19 LCK 208/4885MAPK14 187/4885TP53 691/4885
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS MAP3K20, MAP3K6, MAP3K19 LCK 208/4885MAPK14 187/4885TP53 691/4885

“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.