SCHEMBL890460

SCHEMBL890460

Cc1cccc2nc(C=O)c(-c3cccc(F)c3)c(=O)n12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.48
HTT P42858 1/20 0.43
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
TGFBR1 P36897 1/20 0.37
MAT2A P31153 1/20 0.36

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
SCHEMBL10107431 0.80 PIK3CD (0.57) PIK3CDHTTGRIN1GRIN2AKDM4E
SCHEMBL890530 0.80 PIK3CD (0.57) PIK3CDHTTGRIN1GRIN2AKDM4E
SCHEMBL890613 0.80 PIK3CD (0.58) PIK3CDHTTGRIN1GRIN2AKDM4E
SCHEMBL890466 0.79 PIK3CD (0.58) PIK3CDHTT
Hydrochloric Acid SCHEMBL890601 0.79 PIK3CD (0.56) PIK3CDHTTGRIN1GRIN2AKDM4E
SCHEMBL890563 0.79 PIK3CD (0.58) PIK3CD
SCHEMBL21772468 0.79 ALDH1A1 (0.45) PIK3CDHTTGRIN1GRIN2AKDM4E
SCHEMBL21772620 0.77 PIK3CD (0.46) PIK3CDALDH1A1CYP1A2TGFBR1MAT2A
SCHEMBL890562 0.74 HTT (0.53) PIK3CDHTTGRIN1GRIN2AKDM4E
SCHEMBL890492 0.74 PIK3CD (0.56) PIK3CDHTTGRIN1GRIN2AKDM4E

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
WO-2020038394-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF AS PI3K INHIBITOR 南京明德新药研发有限公司 2020-02-27 WO 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 PIK3CD 24/4885HTT 1044/4885GRIN1 2955/4885

“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.