SCHEMBL6330245

SCHEMBL6330245

COc1ccccc1Nc1ncc(-c2ccccc2)s1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.70
GAA P10253 3/20 0.70
ALDH1A1 P00352 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
MEN1 O00255 1/20 0.70
NPC1 O15118 1/20 0.70
MAPT P10636 1/20 0.70
HTT P42858 1/20 0.70
RAB9A P51151 1/20 0.70
KMT2A Q03164 1/20 0.70
P2RY1 P47900 1/20 0.59
FLT1 P17948 1/20 0.51
FLT4 P35916 1/20 0.51
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
RECQL P46063 1/20 0.50
TDP1 Q9NUW8 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 0.85 KDR (0.65) KDRGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL6330228 0.85 KDR (0.65) KDRGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL6288100 0.82 SMN1; SMN2 (0.59) KDRSMN1; SMN2MEN1NPC1MAPT
SCHEMBL4601325 0.79 ALDH1A1 (0.61) KDRGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL6336629 0.78 KDR (0.69) KDRGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL6328597 0.78 KDR (0.64) KDRALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL6332010 0.77 KDR (0.72) KDRGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL6330936 0.77 KDR (0.62) KDRSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL30917222 0.76 MAPT (0.70) GAAALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL16342961 0.76 MAPT (0.70) GAAALDH1A1SMN1; SMN2MEN1NPC1

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 5/4885GAA 1166/4885ALDH1A1 3104/4885

“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.