SCHEMBL4124428

SCHEMBL4124428

O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
BRAF P15056 1/20 0.53
PPARG P37231 1/20 0.49
RAB9A P51151 5/20 0.48
NPC1 O15118 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 2/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 3/20 0.47
TP53 P04637 2/20 0.47
ATM Q13315 1/20 0.47
GAA P10253 1/20 0.47
MITF O75030 1/20 0.47
XBP1 P17861 1/20 0.47

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
SCHEMBL1368499 0.95 BRAF (0.55) MAPTBRAFPPARGRAB9ANPC1
Hydrochloric Acid SCHEMBL4516290 0.91 MAPK14 (0.51) MAPTBRAFPPARGRAB9ANPC1
SCHEMBL1368109 0.90 BRAF (0.52) MAPTBRAFPPARGRAB9ANPC1
SCHEMBL1367963 0.87 SMN1; SMN2 (0.56) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL1367887 0.81 HTT (0.49) MAPTBRAFRAB9ANPC1MEN1
SCHEMBL4119706 0.81 MAPK14 (0.59) BRAFRAB9ANPC1LCKKDR
SCHEMBL1367311 0.80 MAPK14 (0.55) MAPTBRAFRAB9AHDAC6SMN1; SMN2
SCHEMBL1366062 0.80 BRAF (0.62) BRAFPPARGHDAC8KDR
SCHEMBL1369057 0.80 BRAF (0.62) BRAFHDAC8KDR
SCHEMBL1368457 0.80 BRAF (0.57) BRAFKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2009-12-24 US claimed
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
EP-2064213-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2009-06-03 EP disclosed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 WO 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-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K5, MAP3K1, PRKACA MAPT 3427/4885BRAF 35/4885PPARG 1958/4885

“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.