SCHEMBL2124408

SCHEMBL2124408

COc1cc2nc(C)c(C)c(O)c2cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4D Q08499 1/20 0.40
PIK3CA P42336 1/20 0.38
NQO2 P16083 6/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
DHFR P00374 4/20 0.37
CYP3A4 P08684 1/20 0.37
GPR35 Q9HC97 1/20 0.36
SMPD3 Q9NY59 1/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
G6PD P11413 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
FASN P49327 1/20 0.35
PSMB5 P28074 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL2124700 0.80 DHFR (0.39) PIK3CANQO2PDE3BPDE3ADHFR
SCHEMBL24792134 0.75 PDE4A (0.51) PDE4APDE4DNQO2PDE3BPDE3A
SCHEMBL11207512 0.74 NQO2 (0.52) NQO2MAPTNPC1LMNAPOLB
SCHEMBL2125303 0.72 CYP3A4 (0.49) PDE4APDE4DPIK3CANQO2CYP3A4
SCHEMBL2819742 0.72 KDM1A (0.33) MAPTKDM4E
SCHEMBL28688196 0.71 CHEK2 (0.38) MAPTPOLBKDM4E
SCHEMBL2714026 0.71 PGK1 (0.41) PDE4APDE4DPIK3CANQO2PDE3B
SCHEMBL6109887 0.71 NQO2 (0.51) PDE4APDE4DNQO2MAPTNPC1
SCHEMBL7782675 0.70 KDM4E (0.52) NQO2CYP3A4MAPTNPC1LMNA
SCHEMBL9594269 0.69 NQO2 (0.47) NQO2PDE3BPDE3ADHFRMAPT

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-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151737-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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PDE4A 2104/4885PDE4D 1984/4885PIK3CA 28/4885

“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.