SCHEMBL2858446

SCHEMBL2858446

CC(C)(C#N)Oc1cccc(C(=O)Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.39
KDR P35968 3/20 0.39
IKBKB O14920 1/20 0.37
RAF1 P04049 1/20 0.37
ERBB2 P04626 1/20 0.37
CDK1 P06493 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
SRC P12931 1/20 0.37
PDGFRA P16234 1/20 0.37
FGFR3 P22607 1/20 0.37
MAP2K1 Q02750 1/20 0.37
TEK Q02763 1/20 0.37
MAPK14 Q16539 1/20 0.37
AURKB Q96GD4 1/20 0.37
JAK2 O60674 1/20 0.35
ELANE P08246 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2853618 0.88 TSHR (0.45) BRAFKDRIKBKBRAF1ERBB2
SCHEMBL2861153 0.86 PDK1 (0.45) BRAFKDRIKBKBRAF1ERBB2
SCHEMBL28743158 0.84 JAK2 (0.40) JAK2ELANEALDH1A1ALOX15KDM4E
SCHEMBL10982630 0.78 ALDH1A1 (0.37) JAK2ELANEALDH1A1ALOX15KDM4E
SCHEMBL27957269 0.76 KCNK3 (0.43) JAK2ALDH1A1ALOX15MGLLP2RX7
SCHEMBL2125517 0.75 KDM4E (0.50) ELANEMAPTMEN1KMT2AALDH1A1
SCHEMBL9357148 0.74 JAK2 (0.56) JAK2KMT2AALDH1A1KDM4EMGLL
SCHEMBL826478 0.74 CTSS (0.36) BRAFKDRALDH1A1ALOX15TSHR
Benzene SCHEMBL28272579 0.73 JAK2 (0.55) JAK2KMT2AALDH1A1KDM4EMGLL
SCHEMBL27539646 0.69 KDM4E (0.41) ERBB2AURKBJAK2MAPTMEN1

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
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885KDR 983/4885IKBKB 212/4885

“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.