SCHEMBL480648

SCHEMBL480648

Nc1ccc(CNC(=O)N[C@H]2CC[C@@H](c3ccc(C(=O)NCCN4CCS(=O)(=O)CC4)c(Nc4cccc(C(F)(F)F)c4)n3)CC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.37
TYRO3 Q06418 1/20 0.37
UBE2M P61081 5/20 0.36
DCUN1D1 Q96GG9 5/20 0.36
CAMK1D Q8IU85 4/20 0.36
MAPK1 P28482 2/20 0.36
KCNH2 Q12809 2/20 0.36
SYK P43405 2/20 0.36
MAP3K7 O43318 1/20 0.36
CSF1R P07333 1/20 0.36
PIM1 P11309 1/20 0.36
MAPK3 P27361 1/20 0.36
BLK P51451 1/20 0.36
RIPK4 P57078 1/20 0.36
CSNK2A1 P68400 1/20 0.36
MAP2K5 Q13163 1/20 0.36
MAP3K11 Q16584 1/20 0.36
AURKB Q96GD4 1/20 0.36
CNR2 P34972 1/20 0.36
MAPT P10636 3/20 0.36

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
SCHEMBL480649 0.95 TYRO3 (0.37) TYRO3UBE2MDCUN1D1CAMK1DMAPK1
SCHEMBL480423 0.93 MAPT (0.39) TYRO3UBE2MDCUN1D1CAMK1DMAPK1
SCHEMBL480424 0.93 MAPT (0.39) TYRO3UBE2MDCUN1D1CAMK1DMAPK1
SCHEMBL480706 0.83 ATR (0.40) MEN1KMT2APOLB
SCHEMBL13190371 0.83 ATR (0.40) MEN1KMT2APOLB
SCHEMBL480705 0.83 ATR (0.40) MEN1KMT2APOLB
SCHEMBL480804 0.83 ATR (0.40) MEN1KMT2APOLB
SCHEMBL13190368 0.72 NAMPT (0.45) SYKMAPTLMNA
SCHEMBL3434854 0.71 TP53 (0.37) TGFBR1TYRO3SYKMAPTLMNA
SCHEMBL3051319 0.68 NAMPT (0.40) MTOR

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
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-04-19 US claimed
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-04-19 US disclosed
EP-2411367-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109123-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 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-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NAMPT, NQO1, NNT TGFBR1 4845/4885TYRO3 3475/4885UBE2M 1286/4885

“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.