SCHEMBL6803580

SCHEMBL6803580

CN(CC1CCN(C(=O)O)CC1)c1cc(N)ncn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.38
ACACB O00763 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
PIK3CA P42336 4/20 0.35
MTOR P42345 4/20 0.35
TBK1 Q9UHD2 3/20 0.35
CSF1R P07333 1/20 0.34
ABL1 P00519 1/20 0.33
FYN P06241 1/20 0.33
YES1 P07947 1/20 0.33
FGR P09769 1/20 0.33
SRC P12931 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
TGFBR1 P36897 2/20 0.33
S1PR1 P21453 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
SCHEMBL5889155 0.84 GPR119 (0.53) GPR119TBK1TGFBR1
SCHEMBL5190202 0.78 FGFR3 (0.47) ACACBTBK1ABL1FYNYES1
SCHEMBL27769104 0.77 TBK1 (0.39) ACACBTBK1SRCJAK2JAK1
SCHEMBL5188838 0.77 TBK1 (0.36) GRIN2BACACBGPR119TBK1S1PR1
SCHEMBL27769024 0.77 TBK1 (0.39) ACACBGPR119TBK1
SCHEMBL1071028 0.76 LMNA (0.41) GPR119TBK1S1PR1
SCHEMBL27755042 0.76 GPR119 (0.39) GRIN2BACACBGPR119TBK1S1PR1
SCHEMBL27734704 0.76 TBK1 (0.35) GRIN2BACACBGPR119TBK1S1PR1
SCHEMBL1072184 0.75 GPR119 (0.38) ACACBGPR119TBK1CSF1RABL1
SCHEMBL27755006 0.75 TBK1 (0.36) ACACBGPR119TBK1CSF1RABL1

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-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 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-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 GRIN2B 3364/4885ACACB 1242/4885GPR119 316/4885

“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.