SCHEMBL104107

SCHEMBL104107

CC(C)(C)c1ccc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 1/20 0.60
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
KCNK3 O14649 1/20 0.55
HDAC3 O15379 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
NR1H4 Q96RI1 3/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
TP53 P04637 2/20 0.53

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
SCHEMBL11987744 0.88 CA1 (0.52) KCNK9RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL12350704 0.87 KCNK3 (0.58) KCNK9RAB9ANPC1MEN1KMT2A
SCHEMBL24628621 0.84 MEN1 (0.50) KCNK9RAB9ANPC1MEN1KMT2A
SCHEMBL18343191 0.84 KCNK3 (0.57) KCNK9RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3308119 0.82 MEN1 (0.61) KCNK9RAB9AMEN1KMT2AALDH1A1
SCHEMBL14322636 0.81 NPSR1 (0.52) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL1329990 0.81 KMT2A (0.58) KCNK9RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL18343159 0.80 ALDH1A1 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL31224630 0.80 RAB9A (0.50) KCNK9RAB9ANPC1MEN1KMT2A
SCHEMBL14568092 0.80 HDAC1 (0.52) KCNK9RAB9ASMN1; SMN2NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205564-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
EP-2426109-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-18 EP disclosed
WO-2013157021-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2013-10-24 WO disclosed
EP-2426109-A1 NOVEL KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-07 EP disclosed
US-7943618-B2 Btk protein kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-05-17 US disclosed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 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-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN KCNK9 1843/4885RAB9A 1663/4885SMN1; SMN2 4495/4885

“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.