SCHEMBL546804

SCHEMBL546804

Cc1ccc(C(=O)O)c2c(N)noc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 12/20 0.41
RARB P10826 12/20 0.41
RARG P13631 12/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
KIT P10721 1/20 0.41

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
SCHEMBL545868 0.80 FLT1 (0.47) KITKDRFLT3CYP1A2AURKB
SCHEMBL546269 0.78 AURKB (0.67) KITKDRFLT3AURKB
SCHEMBL18843446 0.73 KDR (0.46) KITKDRFLT3AURKBIDO1
SCHEMBL15317984 0.70 CYP1A2 (0.65) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15317983 0.70 CYP1A2 (0.65) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11335559 0.69 CYP1A2 (0.46) RARARARBRARGCYP1A2
SCHEMBL20850515 0.68 CYP1A2 (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14186130 0.68 CYP1A2 (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL424102 0.68 FLT3 (0.54) KITKDRFLT3AURKB
SCHEMBL9067608 0.67 HAAO (0.42) RARARARBRARGGABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170834-B1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBVIE INC (US) 2014-01-08 EP disclosed
US-8110572-B2 Inhibitors of protein kinases ABBOTT LABORATORIES (US) 2012-02-07 US disclosed
EP-2170834-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2010-04-07 EP disclosed
US-20090054430-A1 Inhibitors of Protein Kinases ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
WO-2009012312-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-01-22 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-20090054430-A1 Inhibitors of Protein Kinases AURKC, AURKB, PLK1 RARA 4454/4885RARB 4119/4885RARG 3887/4885

“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.