SCHEMBL6496377

SCHEMBL6496377

CC(O)(CO)c1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.52
EPHX2 P34913 1/20 0.43
CYP2A6 P11509 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP19A1 P11511 3/20 0.40
LOXL2 Q9Y4K0 2/20 0.39
MDM2 Q00987 2/20 0.39
PTPN5 P54829 1/20 0.39
MLYCD O95822 1/20 0.38
MMP3 P08254 1/20 0.38
ENPP2 Q13822 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37

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
SCHEMBL13891047 1.00 KIF11 (0.52) KIF11EPHX2CYP2A6ALDH1A1CA12
SCHEMBL13174275 1.00 KIF11 (0.52) KIF11EPHX2CYP2A6ALDH1A1CA12
SCHEMBL507411 0.82 KIF11 (0.50) KIF11EPHX2CYP2A6ALDH1A1CA12
SCHEMBL11186593 0.82 KIF11 (0.53) KIF11EPHX2CYP2A6ALDH1A1CA12
SCHEMBL10668265 0.81 KIF11 (0.48) KIF11EPHX2CYP2A6ALDH1A1CA12
SCHEMBL31294502 0.79 KIF11 (0.47) KIF11EPHX2ALDH1A1CA2PTPN5
SCHEMBL13845191 0.79 KIF11 (0.59) KIF11EPHX2CYP2A6ALDH1A1CA12
SCHEMBL379565 0.79 KIF11 (0.59) KIF11EPHX2CYP2A6ALDH1A1CA12
SCHEMBL9425586 0.78 KIF11 (0.46) KIF11EPHX2CYP2A6ALDH1A1CA12
SCHEMBL1099894 0.77 KIF11 (0.57) KIF11EPHX2CYP2A6ALDH1A1CA12

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
WO-2005003140-A1 4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents AGOURON PHARMACEUTICALS, INC. 2005-01-06 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-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents ZC3HAV1, IRF3, BRD4 KIF11 3242/4885EPHX2 1388/4885CYP2A6 990/4885

“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.