SCHEMBL14725972

SCHEMBL14725972

Cc1nnc2c(N3CCOCC3)nc(Br)cn12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 2/20 0.43
PDE10A Q9Y233 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
KHK P50053 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
HTR2C P28335 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL5559267 0.80 PDE10A (0.41) POLBKMT2AMAPK1PDE10AALDH1A1
SCHEMBL14725983 0.80 POLB (0.39) POLBKMT2AMAPK1PDE10AALDH1A1
SCHEMBL10092226 0.79 ALDH1A1 (0.45) KMT2AMAPK1PDE10AALDH1A1MEN1
SCHEMBL10092233 0.75 PIK3CA (0.55) POLBKMT2AMAPK1PDE10AALDH1A1
SCHEMBL9775094 0.75 ALDH1A1 (0.47) POLBMAPK1ALDH1A1TSHRKDM4E
SCHEMBL14725935 0.75 ALDH1A1 (0.39) POLBKMT2AMAPK1PDE10AALDH1A1
SCHEMBL14725955 0.75 PIK3CA (0.62) PIK3R1PIK3CA
SCHEMBL26072395 0.74 PIK3CA (0.45) POLBKMT2AMAPK1PDE10AALDH1A1
SCHEMBL14725982 0.72 PIK3CA (0.52) PIK3R1PIK3CA
SCHEMBL14725953 0.72 PIK3CA (0.69) PIK3R1PIK3CA

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-9073927-B2 Inhibitors of PI3 kinase FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2015-07-07 US disclosed
US-9073927-B2 Inhibitors of PI3 kinase FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2015-07-07 US disclosed
US-20130053371-A1 INHIBITORS OF PI3 KINASE CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2013-02-28 US disclosed
US-20130053371-A1 INHIBITORS OF PI3 KINASE CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2013-02-28 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-20130053371-A1 INHIBITORS OF PI3 KINASE PIK3CA, MTOR, PIK3C2A POLB 1069/4885KMT2A 2368/4885MAPK1 138/4885

“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.