SCHEMBL1597902

SCHEMBL1597902

Nc1ncnc2c1c(I)nn2Cc1nc2c(F)cccc2nc1-c1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.62
PIK3CG P48736 9/20 0.51
BTK Q06187 1/20 0.38
PIK3C2B O00750 2/20 0.37

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
SCHEMBL1598342 0.96 PIK3CD (0.58) PIK3CDPIK3CGBTKPIK3C2B
SCHEMBL1598125 0.93 PIK3CD (0.66) PIK3CDPIK3CGPIK3C2B
SCHEMBL4552947 0.90 PIK3CD (0.62) PIK3CDPIK3CGBTKPIK3C2B
SCHEMBL1596827 0.90 PIK3CD (0.77) PIK3CDPIK3CGPIK3C2B
SCHEMBL13973987 0.90 PIK3CG (0.65) PIK3CDPIK3CGPIK3C2B
SCHEMBL1598104 0.89 PIK3CD (0.61) PIK3CDPIK3CG
SCHEMBL1598996 0.86 PIK3CD (0.72) PIK3CDPIK3CGPIK3C2B
SCHEMBL4563468 0.84 PIK3CD (0.47) PIK3CDPIK3CGPIK3C2B
SCHEMBL12599286 0.82 PIK3CG (0.69) PIK3CDPIK3CGPIK3C2B
SCHEMBL1598245 0.79 PIK3CG (0.66) PIK3CDPIK3CGPIK3C2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152277-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES CHEN YI 2011-06-23 US disclosed
US-20110152277-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES CHEN YI 2011-06-23 US disclosed
US-20110152277-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES CHEN YI 2011-06-23 US disclosed
US-7919498-B2 Substituted pyrazolo[3,4-d]pyrimidines as PI3K inhibitors AMGEN INC. (US) 2011-04-05 US disclosed
US-7919498-B2 Substituted pyrazolo[3,4-d]pyrimidines as PI3K inhibitors AMGEN INC. (US) 2011-04-05 US disclosed
US-7919498-B2 Substituted pyrazolo[3,4-d]pyrimidines as PI3K inhibitors AMGEN INC. (US) 2011-04-05 US disclosed
EP-2132207-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-16 EP disclosed
US-20090030002-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-01-29 US disclosed
US-20090030002-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-01-29 US disclosed
WO-2008118454-A2 DERIVATIVES OF QUINOLINE OR BENZOPYRAZINE AND THEIR USES FOR THE TREATMENT OF (INTER ALIA) INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES OR VARIOUS KINDS OF CANCER AMGEN INC. (US) 2008-10-02 WO disclosed
WO-2008118454-A2 DERIVATIVES OF QUINOLINE OR BENZOPYRAZINE AND THEIR USES FOR THE TREATMENT OF (INTER ALIA) INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES OR VARIOUS KINDS OF CANCER 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 (2 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-20110152277-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885PIK3CG 54/4885BTK 23/4885
US-20090030002-A1 Heterocyclic compounds and their uses MCL1, BCL9, MALT1 PIK3CD 15/4885PIK3CG 53/4885BTK 22/4885

“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.