SCHEMBL1317455

SCHEMBL1317455

Fc1cnc(N=C(c2ccccc2)c2ccccc2)nc1NCc1cc2cccc(Cl)c2nc1-c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.44
AURKA O14965 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP1 O94782 1/20 0.33
WDR48 Q8TAF3 1/20 0.33
HTR5A P47898 1/20 0.33
CNR1 P21554 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
TSHR P16473 2/20 0.31
USP2 O75604 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL6990066 0.93 PIK3CD (0.45) PIK3CDAURKAKDM4EUSP1WDR48
SCHEMBL1312808 0.83 PIK3CD (0.48) PIK3CDKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL1313527 0.81 PIK3CD (0.49) PIK3CDKDM4E
SCHEMBL6983159 0.81 PIK3CD (0.47) PIK3CDAURKAHTR5A
SCHEMBL6989437 0.75 PIK3CD (0.58) PIK3CDKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL4167563 0.68 PIK3CD (0.49) PIK3CD
SCHEMBL4178120 0.68 PIK3CD (0.47) PIK3CDAURKACYP1A2CYP3A4CYP2D6
SCHEMBL4173754 0.67 LMNA (0.41) PIK3CDAURKAALDH1A1TSHRCLK4
SCHEMBL1313645 0.67 PIK3CD (0.50) PIK3CDALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4185246 0.67 PIK3CD (0.50) PIK3CDKDM4EALDH1A1CYP3A4TSHR

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139882-B1 3- SUBSTITUTED QUINOLINE OR QUINOXALINE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS AMGEN INC (US) 2013-12-25 EP disclosed
US-8329910-B2 Quinolines for the treatment of PI3K-δ mediated diseases AMGEN INC. (US) 2012-12-11 US disclosed
US-8329910-B2 Quinolines for the treatment of PI3K-δ mediated diseases AMGEN INC. (US) 2012-12-11 US disclosed
US-8329910-B2 Quinolines for the treatment of PI3K-δ mediated diseases AMGEN INC. (US) 2012-12-11 US disclosed
US-8183258-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-05-22 US disclosed
US-8183258-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-05-22 US disclosed
US-8183258-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-05-22 US disclosed
US-8183259-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-05-22 US disclosed
US-8183259-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-05-22 US disclosed
US-20110281897-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-11-17 US disclosed
US-20100179177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-07-15 US disclosed
US-7705018-B2 Substituted quinolines and their uses in treatment of inflammatory and related conditions AMGEN INC. (US) 2010-04-27 US disclosed
US-7705018-B2 Substituted quinolines and their uses in treatment of inflammatory and related conditions AMGEN INC. (US) 2010-04-27 US disclosed
US-7705018-B2 Substituted quinolines and their uses in treatment of inflammatory and related conditions AMGEN INC. (US) 2010-04-27 US disclosed
EP-2139882-A1 3- SUBSTITUTED QUINOLINE OR QUINOXALINE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE ( PI3K) INHIBITORS Amgen Inc. (US) 2010-01-06 EP disclosed
US-20090023761-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-01-22 US disclosed
US-20090023761-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-01-22 US disclosed
US-20090023761-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-01-22 US disclosed
WO-2008118455-A1 δ3- SUBSTITUTED QUINOLINE OR QUINOXALINE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE ( PI3K) INHIBITORS AMGEN INC. (US) 2008-10-02 WO disclosed
WO-2008118455-A1 δ3- SUBSTITUTED QUINOLINE OR QUINOXALINE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE ( PI3K) INHIBITORS AMGEN INC. (US) 2008-10-02 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 (3 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-20090023761-A1 Heterocyclic compounds and their uses MCL1, BCL9, MALT1 PIK3CD 16/4885AURKA 867/4885KDM4E 1806/4885
US-20100179177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885AURKA 867/4885KDM4E 1806/4885
US-20110281897-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 15/4885AURKA 876/4885KDM4E 1810/4885

“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.