SCHEMBL509174

SCHEMBL509174

O=C(Nc1ccc(Cl)cc1)c1cnc(NC2CCN(C(=O)/C=C/N3CCCC3)CC2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.46
MAPK14 Q16539 2/20 0.46
BTK Q06187 6/20 0.41
HCK P08631 4/20 0.41
CCNK O75909 4/20 0.38
CDK12 Q9NYV4 4/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PPARG P37231 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL509175 1.00 LCK (0.46) LCKMAPK14BTKHCKCCNK
SCHEMBL509034 0.89 LCK (0.43) LCKMAPK14BTKHCKCCNK
SCHEMBL509035 0.89 LCK (0.43) LCKMAPK14BTKHCKCCNK
SCHEMBL13360635 0.74 LCK (0.38) LCKMAPK14BTKHCK
SCHEMBL3354603 0.70 FLT3 (0.40) NPC1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL10187626 0.70 LCK (0.37) LCKMAPK14BTKHCKCCNK
SCHEMBL10187984 0.67 LCK (0.39) LCKMAPK14BTKNPC1RAB9A
SCHEMBL10188921 0.66 MAPT (0.59) LCKMAPK14NPC1RAB9AMAPT
SCHEMBL509502 0.64 NPC1 (0.57) LCKMAPK14NPC1RAB9AMAPT
SCHEMBL17666989 0.64 KIT (0.62) NPC1RAB9AMAPTLMNASMN1; SMN2

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 187/4885BTK 426/4885
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.