SCHEMBL4947769

SCHEMBL4947769

Cc1onc(-c2ccccc2)c1C(=O)c1c[nH]c(C(=O)NCc2ccncc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
MAPK7 Q13164 8/20 0.66
MAPK14 Q16539 5/20 0.63
ALDH1A1 P00352 3/20 0.58
LMNA P02545 3/20 0.58
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL14034674 0.91 SMN1; SMN2 (0.63) HTTSMN1; SMN2MAPK7MAPK14ALDH1A1
SCHEMBL13842376 0.90 ALDH1A1 (0.72) HTTSMN1; SMN2MAPK7ALDH1A1LMNA
SCHEMBL13842529 0.89 MAPK7 (0.64) HTTSMN1; SMN2MAPK7MAPK14ALDH1A1
SCHEMBL3973652 0.88 SMN1; SMN2 (0.69) HTTSMN1; SMN2MAPK7ALDH1A1LMNA
SCHEMBL3977859 0.88 HTT (0.69) HTTSMN1; SMN2MAPK7MAPK14ALDH1A1
SCHEMBL4948287 0.86 SMN1; SMN2 (1.00) HTTSMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL13842387 0.84 HTT (0.72) HTTSMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL3980271 0.83 HTT (0.70) HTTSMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL13842421 0.82 ALDH1A1 (0.61) HTTSMN1; SMN2MAPK7MAPK14ALDH1A1
SCHEMBL3977186 0.82 HTT (0.68) HTTSMN1; SMN2ALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931661-B1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-11-19 EP claimed
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
EP-1931661-B1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 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-20070066668-A1 Isoxazolo derivatives GABRA5, GABRA4, GABRA1 HTT 2677/4885SMN1; SMN2 3215/4885MAPK7 2754/4885

“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.