SCHEMBL699630

SCHEMBL699630

CC(C)(C)c1ccc2c(c1)N=CCNC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PLA2G1B P04054 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
PARP10 Q53GL7 7/20 0.35
PARP1 P09874 2/20 0.35
PARP11 Q9NR21 6/20 0.34
KIF11 P52732 2/20 0.33
TNKS2 Q9H2K2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL794250 0.73 PARP11 (0.44) L3MBTL1PARP10PARP1PARP11MEN1
SCHEMBL1432009 0.71 PARP10 (0.63) PARP10PARP1PARP11
SCHEMBL12056336 0.70 CLK4 (0.49) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL19339963 0.70 KDM4E (0.42) ALDH1A1MEN1KMT2ACA1CA9
SCHEMBL13245087 0.69 ALDH1A1 (0.47) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL700185 0.69 NPC1 (0.43) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL1697000 0.69 ALDH1A1 (0.40) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL12459041 0.68 PARP10 (0.71) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL14063515 0.68 ALDH1A1 (0.42) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL12220207 0.67 CLK4 (0.51) NPC1ALDH1A1PLA2G1BNFKB1CASP3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421854-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-07-23 EP disclosed
US-8318719-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-11-27 US disclosed
EP-2421854-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010122038-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2010-10-28 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-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN NPC1 4636/4885ALDH1A1 4520/4885PLA2G1B 1388/4885

“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.