SCHEMBL6332010

SCHEMBL6332010

COc1ccc(Nc2ncc(-c3ccccc3)s2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.72
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
HTT P42858 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
NPC1 O15118 2/20 0.58
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
ALOX5 P09917 1/20 0.56
RECQL P46063 1/20 0.56
CYP1A2 P05177 1/20 0.54
GLA P06280 1/20 0.54

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
SCHEMBL3596386 0.94 KDR (0.72) KDRMEN1KMT2AMAPTRAB9A
SCHEMBL3602012 0.93 KDR (0.59) KDRMEN1KMT2AMAPTRAB9A
SCHEMBL6336620 0.87 KDR (0.74) KDRROCK1
SCHEMBL6336629 0.86 KDR (0.69) KDRMEN1KMT2AMAPTRAB9A
SCHEMBL3651635 0.85 KDR (1.00) KDRMAPK13MAPK12MAPK11MAPK14
SCHEMBL3605343 0.82 KDR (0.48) KDRMEN1KMT2AMAPTRAB9A
SCHEMBL6331969 0.82 KDR (0.67) KDRMEN1KMT2ASMN1; SMN2ROCK1
SCHEMBL22103768 0.82 KDR (0.57) KDRMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3602543 0.82 VCP (0.58) KDRMEN1KMT2AMAPTNPC1
SCHEMBL6284850 0.82 CNR1 (0.72) KDRMEN1KMT2AMAPTRAB9A

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 5/4885MEN1 4406/4885KMT2A 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.