SCHEMBL2853807

SCHEMBL2853807

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2Cl)cc1Oc1ccc2nc(N)sc2n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.40
PTGES O14684 5/20 0.40
KDR P35968 6/20 0.40
FLT1 P17948 2/20 0.40
FLT4 P35916 2/20 0.40
MAPT P10636 2/20 0.40
PTGS1 P23219 1/20 0.39
BRAF P15056 2/20 0.37
EIF2AK3 Q9NZJ5 1/20 0.37
EIF2AK4 Q9P2K8 1/20 0.37
BTK Q06187 1/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37

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
SCHEMBL2862228 0.89 KDR (0.47) PTGESKDRFLT1MAPTBRAF
SCHEMBL2853585 0.87 KDR (0.39) PTGESKDRFLT1FLT4MAPT
SCHEMBL2855475 0.87 KDR (0.41) PTGESKDRFLT1FLT4MAPT
SCHEMBL2853872 0.87 KDR (0.47) KDRFLT1FLT4MAPTPTGS1
SCHEMBL2855441 0.86 KDR (0.51) RAF1KDRFLT1FLT4BRAF
SCHEMBL2849166 0.83 BTK (0.45) RAF1KDRFLT1FLT4PTGS1
SCHEMBL2858206 0.83 KDR (0.51) RAF1KDRPTGS1BRAFBTK
SCHEMBL2858590 0.82 ALDH1A1 (0.41) KDRFLT1FLT4BRAFLMNA
SCHEMBL2855433 0.80 ALDH1A1 (0.40) KDRFLT1MAPTLMNA
SCHEMBL24362160 0.77 BRAF (0.43) BRAF

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 RAF1 3/4885PTGES 3433/4885KDR 983/4885

“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.