SCHEMBL13360635

SCHEMBL13360635

O=C(Nc1cc(F)cc(F)c1)c1cnc(NC2CCN(C(=O)/C=C/CN3CCCC3)CC2)s1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.38
MAPK14 Q16539 2/20 0.38
BTK Q06187 12/20 0.36
HCK P08631 6/20 0.35
EGFR P00533 4/20 0.33
ITK Q08881 1/20 0.33
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32

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
SCHEMBL10187626 0.92 LCK (0.37) LCKMAPK14BTKHCKEGFR
SCHEMBL509035 0.86 LCK (0.43) LCKMAPK14BTKHCKEGFR
SCHEMBL509034 0.86 LCK (0.43) LCKMAPK14BTKHCKEGFR
SCHEMBL10188140 0.81 BTK (0.35) BTKEGFRCDK7CCNHMNAT1
SCHEMBL509174 0.74 LCK (0.46) LCKMAPK14BTKHCK
SCHEMBL509175 0.74 LCK (0.46) LCKMAPK14BTKHCK
SCHEMBL10188141 0.69 MEN1 (0.41) CDK7CCNHMNAT1
SCHEMBL508540 0.69 ACHE (0.41) BTKEGFR
SCHEMBL508541 0.69 ACHE (0.41) BTKEGFR
SCHEMBL13360637 0.68 NPSR1 (0.41)

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-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 (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-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS MAP3K20, MAP3K6, MAP3K19 LCK 208/4885MAPK14 187/4885BTK 426/4885

“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.