SCHEMBL1597913

SCHEMBL1597913

Cc1cccc2cc(C=O)c(-c3ccccc3F)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
MBNL1 Q9NR56 1/20 0.47
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
PIK3CD O00329 6/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
ERN1 O75460 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4181249 0.89 ATM (0.56) ATMPIK3CDMAPTMAPK1RAB9A
SCHEMBL4167601 0.85 ELANE (0.39) ATMMBNL1PIK3CDMAPTRAB9A
SCHEMBL4180752 0.85 PIK3CD (0.53) ATMMGAMGAASIMGAM2
SCHEMBL4182705 0.84 ATM (0.55) ATMGAAPIK3CDMAPTMAPK1
SCHEMBL12728069 0.83 ATM (0.48) ATMPIK3CDMAPTMAPK1RAB9A
SCHEMBL1596806 0.83 ATM (0.48) ATMPIK3CDMAPTMAPK1RAB9A
SCHEMBL1882580 0.83 ATM (0.50) ATMPIK3CDMAPTMAPK1RAB9A
SCHEMBL4178014 0.82 PIK3CD (0.50) ATMGAAPIK3CDSMN1; SMN2ALDH1A1
SCHEMBL1885178 0.80 ATM (0.45) ATMPIK3CDPOLB
SCHEMBL1881435 0.80 ATM (0.49) ATMGAAPIK3CDMAPTMAPK1

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-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
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 ATM 750/4885MBNL1 1660/4885MGAM 2643/4885
US-20090030002-A1 Heterocyclic compounds and their uses MCL1, BCL9, MALT1 ATM 760/4885MBNL1 1868/4885MGAM 2805/4885

“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.