SCHEMBL890554

SCHEMBL890554

CCc1c(-c2cc(F)cc(F)c2)c(=O)c2cc(F)ccc2n1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
ATM Q13315 1/20 0.41
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.36
HCRTR1 O43613 1/20 0.36
KMT2A Q03164 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK14 Q16539 1/20 0.35
PLK1 P53350 2/20 0.35
HKDC1 Q2TB90 1/20 0.35
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL890583 0.76 PIK3CD (0.53) PIK3CDATMKDM4EALDH1A1MEN1
SCHEMBL10107682 0.76 PIK3CD (0.56) PIK3CDATMKDM4EALDH1A1MEN1
SCHEMBL13925420 0.72 ATM (0.67) ATMKDM4EALDH1A1MEN1HCRTR1
SCHEMBL31563182 0.70 ATM (0.42) ATMKDM4EALDH1A1MEN1HCRTR1
SCHEMBL31563541 0.70 ATM (0.42) ATMKDM4EALDH1A1MEN1HCRTR1
SCHEMBL890802 0.70 PIK3CD (0.48) PIK3CDATMALDH1A1MEN1HCRTR1
SCHEMBL22035261 0.70 ATM (0.41) ATMKDM4EALDH1A1MEN1HCRTR1
SCHEMBL22417980 0.69 KDM4E (0.50) ATMKDM4EALDH1A1MEN1HCRTR1
SCHEMBL890542 0.68 KDM4E (0.48) PIK3CDKDM4EALDH1A1MEN1KMT2A
SCHEMBL8140534 0.67 ATM (0.53) ATMKDM4EALDH1A1MEN1HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 24/4885ATM 639/4885KDM4E 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.