SCHEMBL871646

SCHEMBL871646

CN1CCC(Nc2ncc(F)cc2C(=O)N[C@H]2CC[C@@H](N(C(=O)O)C(C)(C)C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 8/20 0.47
SELP P16109 5/20 0.47
AURKA O14965 5/20 0.47
CHEK1 O14757 3/20 0.47
IKBKB O14920 3/20 0.47
PAK4 O96013 3/20 0.47
CHEK2 O96017 3/20 0.47
ABL1 P00519 3/20 0.47
EGFR P00533 3/20 0.47
INSR P06213 3/20 0.47
LCK P06239 3/20 0.47
FGFR1 P11362 3/20 0.47
CSNK2A2 P19784 3/20 0.47
CCNA2 P20248 3/20 0.47
CDK2 P24941 3/20 0.47
MAPK1 P28482 3/20 0.47
AKT1 P31749 3/20 0.47
MAPKAPK2 P49137 3/20 0.47
GSK3B P49841 3/20 0.47
CSNK2B P67870 3/20 0.47

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
SCHEMBL871647 1.00 TYRO3 (0.47) TYRO3SELPAURKACHEK1IKBKB
SCHEMBL3017210 0.85 TYRO3 (0.48) TYRO3SELPAURKACHEK1IKBKB
SCHEMBL3017215 0.85 TYRO3 (0.48) TYRO3SELPAURKACHEK1IKBKB
SCHEMBL4105480 0.85 HPGD (0.36) TYRO3SELPAURKACHEK1IKBKB
SCHEMBL4105477 0.85 HPGD (0.36) TYRO3SELPAURKACHEK1IKBKB
SCHEMBL16087253 0.83 TYRO3 (0.46) TYRO3SELPAURKACHEK1IKBKB
SCHEMBL10271650 0.82 SSTR4 (0.48) TYRO3SELPAURKACHEK1IKBKB
SCHEMBL870890 0.79 CRHR1 (0.36) TYRO3FLT3MERTKGAS6IRAK4
SCHEMBL870889 0.79 CRHR1 (0.36) TYRO3FLT3MERTKGAS6IRAK4
SCHEMBL870326 0.78 SSTR4 (0.46) TYRO3SELPAURKACHEK1IKBKB

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-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B TYRO3 3353/4885SELP 1696/4885AURKA 3997/4885

“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.