SCHEMBL4058993

SCHEMBL4058993

Cc1nc2sc3c(c2c(N)c1C(=O)C1CC1)CCC3

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.47
KDM4E B2RXH2 4/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
GMNN O75496 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
MAPT P10636 7/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46

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
SCHEMBL618092 0.82 MAPT (0.54) SMN1; SMN2KDM4ELMNAALDH1A1HSD17B10
SCHEMBL4058670 0.81 CNR1 (0.48) SMN1; SMN2KDM4ELMNAALDH1A1HSD17B10
SCHEMBL9597948 0.81 RAB9A (0.55) SMN1; SMN2KDM4ELMNAALDH1A1HSD17B10
SCHEMBL4057593 0.80 KMT2A (0.53)
SCHEMBL4055666 0.77 SMN1; SMN2 (0.49) SMN1; SMN2KDM4ELMNAALDH1A1HSD17B10
SCHEMBL620485 0.77 GABRP (0.66) SMN1; SMN2KDM4ELMNAALDH1A1HSD17B10
SCHEMBL4056213 0.77 ALDH1A1 (0.48) SMN1; SMN2KDM4ELMNAALDH1A1HSD17B10
SCHEMBL4055673 0.77 CDKN1A (0.52) LMNAALDH1A1POLB
SCHEMBL27709659 0.76 ABCC1 (0.48) KDM4ELMNAALDH1A1BLMMAPT
SCHEMBL4065547 0.76 KMT2A (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794148-B1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-04-15 EP claimed
EP-1828199-B1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
US-7390903-B2 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. (US) 2008-06-24 US disclosed
EP-1828199-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
US-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-06-22 US disclosed
WO-2006063732-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO 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-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors GABBR1, CHRNA5, CHRNA3 SMN1; SMN2 219/4885KDM4E 1637/4885LMNA 4221/4885

“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.