SCHEMBL3879504

SCHEMBL3879504

CCOC(=O)c1cc(C(=O)O)ncc1C#C[Si](C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.47
GABRA5 P31644 4/20 0.47
GABRG2 P18507 3/20 0.47
GABRB3 P28472 3/20 0.47
GABRA3 P34903 3/20 0.47
GABRA2 P47869 3/20 0.47
GABRA4 P48169 3/20 0.47
GABRA6 Q16445 3/20 0.47
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 4/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRE P78334 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38

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
SCHEMBL3884824 0.85 GABRA1 (0.48) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL9318633 0.78 KDM4E (0.49) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL3879991 0.75 ALDH1A1 (0.49) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL3354068 0.75 NUDT1 (0.43) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL2012376 0.71 KDM4E (0.53) ALDH1A1SMN1; SMN2KDM4EHSD17B10MAPT
SCHEMBL22675639 0.70 ALDH1A1 (0.44) CYP2C9CYP2C19ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5820160 0.70 KDM4E (0.52) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL10465494 0.70 GABRA1 (0.52) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL1644378 0.69 CYP1A2 (0.52) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL16099211 0.69 GABRA1 (0.54) GABRA1GABRA5GABRG2GABRB3GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566784-B2 Bicyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-28 US disclosed
US-20050239820-A1 Bicyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-10-27 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-20050239820-A1 Bicyclic heterocycles as kinase inhibitors CDK2, ABL1, CDKN1A GABRA1 3246/4885GABRA5 3235/4885GABRG2 2728/4885

“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.