SCHEMBL1313645

SCHEMBL1313645

Nc1cc(NCc2cc3cccc(Cl)c3nc2-c2ccccc2Cl)ncn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.50
CYP1A2 P05177 6/20 0.46
CYP3A4 P08684 6/20 0.46
TSHR P16473 5/20 0.46
CLK4 Q9HAZ1 5/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2C19 P33261 4/20 0.46
MAPK1 P28482 3/20 0.46
ALOX15 P16050 1/20 0.46
TP53 P04637 1/20 0.45
HIF1A Q16665 1/20 0.45
MAP4K4 O95819 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.40
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39

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
SCHEMBL4178120 0.79 PIK3CD (0.47) PIK3CDCYP1A2CYP3A4TSHRCYP2D6
SCHEMBL6985518 0.78 PIK3CD (0.50) PIK3CDJAK2TYK2
SCHEMBL1313527 0.77 PIK3CD (0.49) PIK3CD
SCHEMBL4178087 0.75 DPP4 (0.51) PIK3CDALDH1A1
SCHEMBL10251465 0.75 PIK3CD (0.50) PIK3CDALOX15
SCHEMBL1312808 0.74 PIK3CD (0.48) PIK3CDCYP1A2CYP3A4TSHRCLK4
SCHEMBL1314085 0.74 PIK3CD (0.51) PIK3CDKMT2AALDH1A1
SCHEMBL4185246 0.73 PIK3CD (0.50) PIK3CDCYP3A4TSHRMEN1KMT2A
SCHEMBL4181390 0.72 PIK3CD (0.52) PIK3CDCYP1A2CYP3A4TSHRCLK4
SCHEMBL4167563 0.72 PIK3CD (0.49) PIK3CDALOX15

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 16/4885CYP1A2 2390/4885CYP3A4 3267/4885
US-20100179177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885CYP1A2 2390/4885CYP3A4 3267/4885
US-20110281897-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 15/4885CYP1A2 2339/4885CYP3A4 3185/4885

“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.