SCHEMBL5444136

SCHEMBL5444136

FC(F)(F)c1cc(Br)c2nc(Nc3ccccc3Oc3ccc4nsnc4c3)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.40
RAF1 P04049 4/20 0.37
BRAF P15056 4/20 0.37
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDR P35968 7/20 0.33
TEK Q02763 5/20 0.33
AURKA O14965 1/20 0.33
LCK P06239 1/20 0.33
AURKB Q96GD4 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
CSNK1D P48730 1/20 0.31

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
SCHEMBL5450818 0.86 RIPK1 (0.41) RIPK1RAF1BRAFDYRK1ADYRK1B
SCHEMBL5459650 0.85 RAF1 (0.43) RIPK1RAF1BRAFDYRK1ADYRK1B
SCHEMBL5455201 0.81 RIPK1 (0.40) RIPK1RAF1BRAFDYRK1ADYRK1B
SCHEMBL5458915 0.80 KDR (0.35) RAF1BRAFDYRK1ADYRK1BNPC1
SCHEMBL5453181 0.80 RIPK1 (0.40) RIPK1RAF1BRAFDYRK1ADYRK1B
SCHEMBL5447363 0.74 CSNK1D (0.35) RAF1BRAFDYRK1ADYRK1BKDR
SCHEMBL5447181 0.74 RAF1 (0.44) RAF1BRAFDYRK1ADYRK1BKDR
SCHEMBL14595257 0.74 RIPK1 (0.43) RIPK1RAF1BRAFDYRK1ADYRK1B
SCHEMBL5449925 0.74 KDR (0.49) RAF1BRAFDYRK1ADYRK1BKDR
SCHEMBL5444075 0.73 KDR (0.41) RAF1BRAFKDRTEKLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021456-A1 Aminobenzimidazole derivatives MERCK PATENT GMBH (DE) 2007-01-25 US claimed
US-20070021456-A1 Aminobenzimidazole derivatives MERCK PATENT GMBH (DE) 2007-01-25 US 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-20070021456-A1 Aminobenzimidazole derivatives TIE1, KDR, FLT1 RIPK1 1867/4885RAF1 17/4885BRAF 22/4885

“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.