SCHEMBL890532

SCHEMBL890532

O=c1cc(CCl)nc2ccc(F)cn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
KDM4E B2RXH2 7/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
METTL3 Q86U44 1/20 0.42
RXFP1 Q9HBX9 5/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 2/20 0.41
AHR P35869 1/20 0.40
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40

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
SCHEMBL17298041 0.84 GRIN1 (0.55) GRIN1GRIN2AKDM4ETDP1ALDH1A1
SCHEMBL3152080 0.83 PKM (0.56) GRIN1GRIN2AKDM4ETDP1ALDH1A1
SCHEMBL15175417 0.82 GRIN1 (0.40) GRIN1GRIN2AKDM4EALDH1A1NPC1
SCHEMBL23726394 0.81 RXFP1 (0.56) KDM4ETDP1ALDH1A1NPC1MAPT
SCHEMBL10966083 0.81 KDM4E (0.62) GRIN1GRIN2AKDM4ETDP1ALDH1A1
SCHEMBL19104696 0.81 GRIN1 (0.49) GRIN1GRIN2AKDM4ETDP1ALDH1A1
SCHEMBL15175645 0.76 METTL3 (0.42) GRIN1GRIN2AKDM4EMETTL3RXFP1
SCHEMBL11920167 0.74 KDM4E (0.53) GRIN1GRIN2AKDM4ETDP1ALDH1A1
SCHEMBL890385 0.74 PKM (0.56) GRIN1GRIN2AKDM4EALDH1A1MAPT
SCHEMBL15176215 0.72 GRIN1 (0.38) GRIN1GRIN2AMETTL3POLBNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828184-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF AS PI3K INHIBITOR Medshine Discovery Inc. (CN) 2021-06-02 EP disclosed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
EP-2445898-A2 4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES AS PI3K INHIBITORS Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US disclosed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US disclosed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US disclosed
WO-2010151735-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151735-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 GRIN1 2955/4885GRIN2A 2974/4885KDM4E 1436/4885

“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.