SCHEMBL890653

SCHEMBL890653

Cc1ccccc1-c1c(CO)nc2cccc(C)n2c1=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.57
HTT P42858 1/20 0.45
TP53 P04637 3/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
PKM P14618 3/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
PDE5A O76074 1/20 0.36
PKLR P30613 1/20 0.36
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL890677 0.77 HTT (0.50) PIK3CDHTTTP53MAPTALDH1A1
SCHEMBL890543 0.75 PIK3CD (0.60) PIK3CD
SCHEMBL890512 0.73 PIK3CD (1.00) PIK3CD
SCHEMBL890569 0.72 PIK3CD (0.77) PIK3CD
SCHEMBL16585327 0.69 PIK3CD (0.45) PIK3CDHTTTP53SMN1; SMN2ALDH1A1
SCHEMBL11368128 0.69 HTT (0.54) PIK3CDHTTTP53MAPTALDH1A1
Hydrochloric Acid SCHEMBL11353116 0.68 HTT (0.53) PIK3CDHTTTP53MAPTALDH1A1
SCHEMBL2716591 0.67 MAPT (0.46) PIK3CDHTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL2717496 0.67 PIK3CD (0.48) PIK3CDHTTTP53MAPTSMN1; SMN2
SCHEMBL890602 0.66 HTT (0.57) PIK3CDHTTTP53MAPTSMN1; SMN2

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 24/4885HTT 1044/4885TP53 164/4885

“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.