SCHEMBL3676899

SCHEMBL3676899

On1nnc2cc(Cl)ccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
ATM Q13315 1/20 0.53
CHEK1 O14757 1/20 0.50
LIMK1 P53667 1/20 0.50
MAPK14 Q16539 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
KCNMA1 Q12791 2/20 0.48
CTNNB1 P35222 9/20 0.45
TCF7L2 Q9NQB0 1/20 0.44
KEAP1 Q14145 2/20 0.41
KMO O15229 1/20 0.41
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3278710 1.00 PKM (0.56) PKMPOLBMAPK1ATMCHEK1
SCHEMBL5702771 0.84 POLB (0.47) PKMPOLBMAPK1ATMCHEK1
SCHEMBL29373587 0.84 POLB (0.53) PKMPOLBMAPK1ATMCHEK1
SCHEMBL83509 0.84 POLB (0.53) PKMPOLBMAPK1ATMCHEK1
Water SCHEMBL2477026 0.82 POLB (0.52) PKMPOLBMAPK1ATMCHEK1
Hydrochloric Acid SCHEMBL30439745 0.82 POLB (0.52) PKMPOLBMAPK1ATMCHEK1
Water SCHEMBL22636774 0.82 POLB (0.52) PKMPOLBMAPK1ATMCHEK1
SCHEMBL11264259 0.79 CHEK1 (0.53) CHEK1LIMK1MAPK14CLK4KCNMA1
Pyrrole SCHEMBL25279873 0.78 KMO (0.50) POLBMAPK1ATMKCNMA1KMO
SCHEMBL16863946 0.78 PKM (0.58) PKMPOLBMAPK1ATMCTNNB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524898-B2 Proton acceptor iminium/carbocation-type coupling agents LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2013-09-03 US disclosed
US-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2010-06-10 US disclosed
EP-2170822-A2 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS Luxembourg Bio Technologies Ltd. (IL) 2010-04-07 EP disclosed
WO-2008139481-A2 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2008-11-20 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-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS PHAX, GIPR, IAPP PKM 792/4885POLB 156/4885MAPK1 983/4885

“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.