SCHEMBL5572898

SCHEMBL5572898

Nc1cc(COc2nsnc2N2CCN(C(=O)O)CC2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 3/20 0.48
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40

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
SCHEMBL5573619 0.87 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRALOX15MAPK1
SCHEMBL5572377 0.85 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRALOX15MAPK1
SCHEMBL2384253 0.82 ALDH1A1 (0.49) ALDH1A1HSD17B10TSHRALOX15MAPK1
SCHEMBL2385310 0.81 TRPV1 (0.44) HSD17B10NPSR1
SCHEMBL2385600 0.81 KMT2A (0.52) ALDH1A1HSD17B10TSHRALOX15MAPK1
SCHEMBL2385186 0.81 MEN1 (0.43) ALDH1A1HSD17B10TSHRALOX15MAPK1
Trifluoroacetic Acid SCHEMBL2384922 0.80 TRPV1 (0.42) HSD17B10HTTNPSR1MAPTLMNA
SCHEMBL5573635 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRALOX15MAPK1
SCHEMBL2385143 0.78 TRPV1 (0.39) HSD17B10MAPK1HTTNPSR1KMT2A
SCHEMBL2425844 0.75 HSD11B1 (0.44) ALDH1A1HSD17B10TSHRALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
EP-1608373-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis Inc. (US) 2005-12-28 EP disclosed
WO-2004083235-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC. (US) 2004-09-30 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR ALDH1A1 3053/4885HSD17B10 3740/4885TSHR 4226/4885

“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.