SCHEMBL6330228

SCHEMBL6330228

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.65
MAPT P10636 5/20 0.59
KDM4E B2RXH2 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
POLB P06746 1/20 0.59
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 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
SCHEMBL6330357 0.90 KDR (0.65) KDRMAPTKDM4EL3MBTL1POLB
SCHEMBL6330245 0.85 KDR (0.70) KDRMAPTKDM4EPOLBMEN1
SCHEMBL6336629 0.81 KDR (0.69) KDRMAPTKDM4EMEN1KMT2A
SCHEMBL6332010 0.80 KDR (0.72) KDRMAPTKDM4EPOLBMEN1
SCHEMBL12297864 0.78 MAPT (0.71) MAPTKDM4EL3MBTL1POLBMEN1
SCHEMBL3596386 0.78 KDR (0.72) KDRMAPTKDM4EMEN1KMT2A
SCHEMBL14662590 0.75 KDR (0.53) KDRMAPTKDM4EMEN1KMT2A
SCHEMBL3796867 0.75 KDM4E (1.00) MAPTKDM4EL3MBTL1POLBMEN1
SCHEMBL12297172 0.73 TUBB4A (0.86) MAPTKDM4EL3MBTL1POLBMEN1
SCHEMBL205719 0.73 MEN1 (0.74) KDRMAPTKDM4EL3MBTL1POLB

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 1182/4885KDM4E 2200/4885

“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.