SCHEMBL15033664

SCHEMBL15033664

CCOc1cc(N2CCOC2=O)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALOX12 P18054 2/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
DGAT1 O75907 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL9997046 0.85 PIK3CA (0.46) PIK3CAMTORLMNATSHRMAPT
SCHEMBL30602385 0.85 PIK3CA (0.46) PIK3CAMTORLMNATSHRMAPT
SCHEMBL850221 0.77 TSHR (0.50) PIK3CAMTORLMNATSHRMAPT
SCHEMBL12445267 0.77 PIK3CA (0.46) PIK3CAMTORLMNAHTTMAPT
SCHEMBL29130970 0.76 PIK3CA (0.37) PIK3CAMTORCCNCCDK8IDH1
SCHEMBL18770189 0.75 IDH1 (0.41) PIK3CAMTORCCNCCDK8DGAT1
SCHEMBL12068822 0.75 KDM1A (0.38) PIK3CACCNCCDK8KDM1A
SCHEMBL30884507 0.72 PIK3CA (0.47) PIK3CAMTORLMNAHTTTSHR
SCHEMBL15651208 0.72 PIK3CA (0.47) PIK3CAMTORLMNAHTTTSHR
SCHEMBL14146011 0.71 PIK3CA (0.46) PIK3CAMTORLMNATDP1L3MBTL1

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-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 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-20130156756-A1 Substituted Triazolopyridines CCND2, CCND1, QDPR PIK3CA 1062/4885MTOR 2442/4885LMNA 1474/4885

“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.