SCHEMBL2136593

SCHEMBL2136593

CCN(CC)C(=O)Nc1ncc(-c2cncc(C(=O)OC)c2)c(-c2nc(C(F)(F)F)cs2)c1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.38
▸ FLT3 P36888 1/20 0.34
▸ TYRO3 Q06418 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ GAS6 Q14393 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ PTPN1 P18031 1/20 0.32

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
SCHEMBL1505439 0.87 CYP2A6 (0.40) CYP2A6PTPN1
SCHEMBL1505438 0.87 CYP2A6 (0.38) CYP2A6FLT3TYRO3MERTKGAS6
SCHEMBL2132019 0.86 CYP2A6 (0.38) CYP2A6
SCHEMBL2135487 0.86 CYP2A6 (0.38) CYP2A6FLT3TYRO3MERTKGAS6
SCHEMBL1505661 0.85 CYP2A6 (0.39) CYP2A6FLT3TYRO3MERTKGAS6
SCHEMBL31511983 0.85 CYP2A6 (0.40) CYP2A6
SCHEMBL2136584 0.85 CYP2A6 (0.40) CYP2A6
SCHEMBL1505470 0.85 CYP2A6 (0.39) CYP2A6PTPN1
SCHEMBL2132176 0.84 CYP2A6 (0.37) CYP2A6TP53MAPTPTPN1
SCHEMBL2134933 0.84 SMN1; SMN2 (0.41) CYP2A6FLT3TYRO3MERTKGAS6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 — — 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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 CYP2A6 754/4885FLT3 115/4885TYRO3 2016/4885

“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.

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