SCHEMBL2849166

SCHEMBL2849166

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2Cl)cc1Oc1ccc(N)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.45
RAF1 P04049 1/20 0.45
PTGS1 P23219 1/20 0.44
BRAF P15056 2/20 0.43
CYP2C9 P11712 1/20 0.43
LCK P06239 4/20 0.43
KEAP1 Q14145 1/20 0.43
KDR P35968 6/20 0.42
MAPK14 Q16539 3/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
KIT P10721 2/20 0.41
FLT1 P17948 2/20 0.41
FLT4 P35916 2/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2856239 0.86 MAPT (0.43) BRAFCYP2C9KCNK3KCNK9RAB9A
SCHEMBL2855530 0.85 GAA (0.51) PTGS1KDRKCNK3KCNK9KIT
SCHEMBL2853807 0.83 RAF1 (0.40) BTKRAF1PTGS1BRAFCYP2C9
SCHEMBL2855525 0.81 LCK (0.60) BTKRAF1PTGS1BRAFCYP2C9
SCHEMBL2862228 0.79 KDR (0.47) BRAFKDRKITFLT1RAB9A
SCHEMBL2860411 0.77 KEAP1 (0.49) KEAP1RAB9AKDM4E
SCHEMBL2853585 0.77 KDR (0.39) BRAFLCKKDRKCNK3KCNK9
SCHEMBL2855475 0.77 KDR (0.41) BTKBRAFKDRMAPK14KCNK3
SCHEMBL2855441 0.76 KDR (0.51) RAF1BRAFLCKKDRMAPK14
SCHEMBL2853249 0.75 NPC1 (0.55) PTGS1BRAFKCNK3KCNK9RAB9A

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 BTK 148/4885RAF1 3/4885PTGS1 2022/4885

“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.