SCHEMBL1876302

SCHEMBL1876302

Cc1cc(OC(C)c2cc3cccc(C)c3nc2-c2ccccc2)nc(N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
NUDT1 P36639 1/20 0.40
ATM Q13315 1/20 0.38
ADORA2A P29274 7/20 0.36
ADORA1 P30542 7/20 0.36
ADORA2B P29275 3/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
TPH1 P17752 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE1A P54750 1/20 0.33

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
SCHEMBL1886844 0.89 PIK3CD (0.41) PIK3CDNUDT1ATMADORA2AADORA1
SCHEMBL1882961 0.83 PIK3CD (0.46) PIK3CDATMADORA2AADORA1ADORA2B
SCHEMBL1882958 0.83 PIK3CD (0.46) PIK3CDATMADORA2AADORA1ADORA2B
SCHEMBL1883325 0.77 ATM (0.42) PIK3CDATMADORA2AADORA1ADORA2B
SCHEMBL1879939 0.77 PIK3CD (0.45) PIK3CDNUDT1ADORA2AADORA1ADORA2B
SCHEMBL1881480 0.76 PIK3CD (0.41) PIK3CDATMADORA2AADORA1NPC1
SCHEMBL1883714 0.73 ATM (0.48) PIK3CDATMRAB9AALDH1A1MAPK1
SCHEMBL1881106 0.73 ATM (0.48) PIK3CDATMRAB9AALDH1A1MAPK1
SCHEMBL1878845 0.73 ATM (0.48) PIK3CDATMRAB9AALDH1A1MAPK1
SCHEMBL1877108 0.72 PIK3CD (0.41) PIK3CDATMADORA2AADORA1ALDH1A1

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 2 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

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 8/4885NUDT1 1761/4885ATM 545/4885

“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.