SCHEMBL6330357

SCHEMBL6330357

COc1ccc(OC)c(Nc2ncc(-c3ccccc3)s2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.65
MAPT P10636 7/20 0.60
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 2/20 0.60
HPGD P15428 2/20 0.60
GAA P10253 3/20 0.53
HTT P42858 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 2/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL6330228 0.90 KDR (0.65) KDRMAPTKMT2AMEN1ALDH1A1
SCHEMBL6330245 0.85 KDR (0.70) KDRMAPTKMT2AMEN1ALDH1A1
SCHEMBL205719 0.83 MEN1 (0.74) KDRMAPTKMT2AMEN1ALDH1A1
SCHEMBL6336629 0.81 KDR (0.69) KDRMAPTKMT2AMEN1ALDH1A1
SCHEMBL6332010 0.80 KDR (0.72) KDRMAPTKMT2AMEN1ALDH1A1
SCHEMBL14662590 0.78 KDR (0.53) KDRMAPTKMT2AMEN1ALDH1A1
SCHEMBL3596386 0.78 KDR (0.72) KDRMAPTKMT2AMEN1ALDH1A1
SCHEMBL5316078 0.75 KDM4E (0.70) KDRMAPTKMT2AMEN1ALDH1A1
SCHEMBL5315815 0.75 KDM4E (1.00) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL5333022 0.75 MAPT (0.61) KDRMAPTKMT2AMEN1ALDH1A1

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
US-20050228031-A1 Tyrosine kinase inhibitors BILODEAU MARK T 2005-10-13 US claimed
US-20050228031-A1 Tyrosine kinase inhibitors BILODEAU MARK T 2005-10-13 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-20050228031-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885MAPT 1182/4885KMT2A 3298/4885

“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.