SCHEMBL1885076

SCHEMBL1885076

Cc1cccc2cc(COc3cc(C(C)C)nc(N)n3)c(-c3ccccc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.42
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NUDT1 P36639 1/20 0.36
ATM Q13315 1/20 0.36
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1879939 0.87 PIK3CD (0.45) PIK3CDNPC1ALDH1A1MAPK1RAB9A
SCHEMBL1877699 0.83 PIK3CD (0.45) PIK3CDNUDT1DRD4DRD3L3MBTL1
SCHEMBL1888178 0.79 PIK3CD (0.45) PIK3CDNPC1RAB9AATMDRD4
SCHEMBL1883779 0.78 PIK3CD (0.48) PIK3CDNUDT1ATM
SCHEMBL1881538 0.77 NPC1 (0.42) PIK3CDNPC1ALDH1A1MAPK1RAB9A
SCHEMBL1884683 0.77 PIK3CD (0.40) PIK3CDNUDT1ATM
SCHEMBL1882523 0.75 PIK3CD (0.40) PIK3CDNUDT1
SCHEMBL1875430 0.75 PIK3CD (0.46) PIK3CDATM
SCHEMBL1887094 0.74 PIK3CD (0.45) PIK3CDATMDRD4DRD3L3MBTL1
SCHEMBL1884319 0.72 PIK3CD (0.47) PIK3CDALDH1A1MAPK1ATMDRD4

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 4 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-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA, S.A. (BE) 2011-05-05 US disclosed
EP-2231641-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2010-09-29 EP disclosed
WO-2009081105-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-07-02 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 (1 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-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS PDXK, PDPK1, PIKFYVE PIK3CD 8/4885NPC1 4391/4885ALDH1A1 4276/4885

“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.