SCHEMBL486036

SCHEMBL486036

CCCCNC(=O)c1ccc(-c2ccc(NC(=O)NCc3ccc(N)nc3)c(F)c2)nc1NC1CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 20/20 0.51
MERTK Q12866 20/20 0.51
GAS6 Q14393 17/20 0.51
FLT3 P36888 16/20 0.51
AXL P30530 3/20 0.46

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
SCHEMBL486043 0.96 TYRO3 (0.47) TYRO3MERTKGAS6FLT3AXL
SCHEMBL485973 0.91 ALOX5AP (0.43) TYRO3MERTKGAS6FLT3AXL
SCHEMBL486117 0.89 ALOX5AP (0.44) TYRO3MERTKGAS6FLT3
SCHEMBL3048653 0.88 TYRO3 (0.51) TYRO3MERTKGAS6FLT3AXL
SCHEMBL486114 0.88 MEN1 (0.41) TYRO3MERTKGAS6FLT3
SCHEMBL486537 0.83 ALOX5AP (0.41) TYRO3MERTKGAS6FLT3
SCHEMBL485963 0.82 MTOR (0.45)
SCHEMBL486083 0.81 MTOR (0.40) TYRO3MERTKGAS6FLT3
SCHEMBL485940 0.81 KCNH2 (0.41)
SCHEMBL485804 0.81 TLR2 (0.39) TYRO3MERTKGAS6FLT3

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-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-03-01 US claimed
US-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-03-01 US disclosed
EP-2411368-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109122-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS 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-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS NAMPT, NNT, NQO1 TYRO3 4038/4885MERTK 2845/4885GAS6 4448/4885

“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.