SCHEMBL2275780

SCHEMBL2275780

COC(=O)c1nn(-c2cnn(COCC[Si](C)(C)C)c2)ccc1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP2C9 P11712 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
PKM P14618 1/20 0.32

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
SCHEMBL13274757 0.91 CYP2C9 (0.48) GAAALDH1A1KMT2APOLBKDM4E
SCHEMBL13449245 0.90 GAA (0.54) GAAALDH1A1KMT2APOLBKDM4E
SCHEMBL2264611 0.84 GAA (0.32) GAAALDH1A1KMT2APOLBKDM4E
SCHEMBL13274675 0.81 DGAT1 (0.31) DGAT1
SCHEMBL13449246 0.80 CYP2C9 (0.50) GAAALDH1A1KMT2APOLBKDM4E
SCHEMBL20271394 0.75 HPGD (0.39) ALDH1A1KMT2AKDM4EL3MBTL1MEN1
SCHEMBL13449247 0.73 GAA (0.33) GAAALDH1A1KMT2APOLBKDM4E
SCHEMBL16445216 0.73 ALDH1A1 (0.43) GAAALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL23165789 0.71 MAPT (0.38) ALDH1A1KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL31283678 0.70 POLB (0.44) GAAALDH1A1KMT2APOLBKDM4E

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
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 GAA 1463/4885ALDH1A1 1673/4885KMT2A 720/4885

“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.