SCHEMBL4120142

SCHEMBL4120142

O=C(Nc1ccc(Oc2ccccc2)nc1)c1ccc(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.53
HTR2C P28335 3/20 0.52
MEN1 O00255 1/20 0.48
CASP3 P42574 1/20 0.48
KMT2A Q03164 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
KCNQ3 O43525 2/20 0.48
KCNQ2 O43526 2/20 0.48
KCNE1 P15382 2/20 0.48
KCNQ1 P51787 2/20 0.48
GAA P10253 1/20 0.46
CDK8 P49336 3/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TNF P01375 1/20 0.44
NOD1 Q9Y239 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44

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
Hydrochloric Acid SCHEMBL4518253 0.99 BRAF (0.52) BRAFHTR2CMEN1CASP3KMT2A
SCHEMBL1365529 0.88 MEN1 (0.60) BRAFHTR2CMEN1CASP3KMT2A
Hydrochloric Acid SCHEMBL1369412 0.87 MEN1 (0.59) BRAFHTR2CMEN1CASP3KMT2A
SCHEMBL1366062 0.81 BRAF (0.62) BRAFKDR
SCHEMBL1368457 0.81 BRAF (0.57) BRAFKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL1366577 0.81 BRAF (0.60) BRAFMEN1KMT2AKCNQ3KCNQ2
SCHEMBL1365186 0.81 BRAF (0.59) BRAFMEN1KMT2ACDK8RAB9A
SCHEMBL7235460 0.80 KCNQ3 (0.63) HTR2CMEN1CASP3KMT2ASENP8
SCHEMBL1369057 0.80 BRAF (0.62) BRAFKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4107604 0.79 BRAF (0.61) BRAFCDK8KDR

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 3 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 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 BRAF 35/4885HTR2C 1943/4885MEN1 2591/4885

“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.