SCHEMBL1598041

SCHEMBL1598041

Cc1cccc2cc(CBr)c(-c3ccccc3Cl)nc12

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.64
ATM Q13315 1/20 0.48
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44

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
SCHEMBL1598219 0.89 ATM (0.52) PIK3CDATMDRD4DRD3L3MBTL1
SCHEMBL1597713 0.88 PIK3CD (0.65) PIK3CDATMDRD4DRD3L3MBTL1
SCHEMBL1312945 0.86 PIK3CD (0.64) PIK3CDATMDRD4DRD3L3MBTL1
SCHEMBL1886097 0.86 PIK3CD (0.64) PIK3CDATMDRD4DRD3L3MBTL1
SCHEMBL4442988 0.85 PIK3CD (0.63) PIK3CDATMDRD4DRD3L3MBTL1
SCHEMBL1885847 0.84 ATM (0.51) PIK3CDATMDRD4DRD3L3MBTL1
SCHEMBL1879925 0.84 ATM (0.51) PIK3CDATMDRD4DRD3L3MBTL1
SCHEMBL1881032 0.83 ATM (0.50) PIK3CDATMDRD4DRD3L3MBTL1
SCHEMBL1884319 0.80 PIK3CD (0.47) PIK3CDATMDRD4DRD3L3MBTL1
SCHEMBL1883713 0.80 PIK3CD (0.48) PIK3CDATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399483-B2 Quinoxaline and quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2013-03-19 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-20110152277-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES CHEN YI 2011-06-23 US disclosed
US-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA, S.A. (BE) 2011-05-05 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
US-7919498-B2 Substituted pyrazolo[3,4-d]pyrimidines as PI3K inhibitors AMGEN INC. (US) 2011-04-05 US disclosed
EP-2231641-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2010-09-29 EP disclosed
EP-2132207-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-16 EP disclosed
WO-2009081105-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-07-02 WO 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

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-20110152277-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885ATM 750/4885DRD4 4334/4885
US-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS PDXK, PDPK1, PIKFYVE PIK3CD 8/4885ATM 545/4885DRD4 3720/4885
US-20090030002-A1 Heterocyclic compounds and their uses MCL1, BCL9, MALT1 PIK3CD 15/4885ATM 760/4885DRD4 4348/4885

“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.