SCHEMBL7940962

SCHEMBL7940962

COCCOc1cnc(C)c(N)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39
PIK3CA P42336 3/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
BACE1 P56817 3/20 0.36
BACE2 Q9Y5Z0 2/20 0.36
KDM4E B2RXH2 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
PDPK1 O15530 2/20 0.33
APP P05067 1/20 0.32
CTSD P07339 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL10314188 0.79 SIRT6 (0.37) LMNAPIK3CAKDM4E
SCHEMBL12248349 0.78 PIK3CD (0.36) TSHRLMNAPIK3CAPIK3CDPIK3CB
SCHEMBL15483060 0.78 BACE1 (0.34) LMNABACE1BACE2KDM4EAPP
SCHEMBL34470703 0.77 PIK3CA (0.37) TSHRLMNAPIK3CAPIK3CDPIK3CB
SCHEMBL8516151 0.76 BACE1 (0.43) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL28225950 0.75 LMNA (0.39) TSHRLMNABACE1BACE2KDM4E
SCHEMBL34471085 0.75 TSHR (0.40) TSHRLMNAPIK3CAPIK3CDPIK3CB
SCHEMBL7935551 0.74 ALDH1A1 (0.38) BACE1BACE2KDM4EAPP
SCHEMBL14300700 0.73 CDK2 (0.41) TSHRLMNAPIK3CAPIK3CDPIK3CB
SCHEMBL2067360 0.73 TSHR (0.45) TSHRLMNAPIK3CAPIK3CDPIK3CB

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-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
WO-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 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-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 TSHR 4179/4885LMNA 1540/4885PIK3CA 4406/4885

“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.