SCHEMBL10323949

SCHEMBL10323949

Nc1nc(N2CCOCC2)ncc1CO

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.55
MTOR P42345 7/20 0.55
PIK3CD O00329 2/20 0.52
PIK3CB P42338 2/20 0.52
KMT2A Q03164 2/20 0.51
PTPN11 Q06124 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PIK3R1 P27986 6/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL10322861 0.82 KCNK2 (0.49) KMT2APTPN11ALDH1A1HSD17B10MAPK1
SCHEMBL24196192 0.76 KDM4E (0.69) PIK3CAMTORPIK3CDPIK3CBKMT2A
SCHEMBL245017 0.76 ALDH1A1 (0.63) PIK3CAMTORPIK3CDPIK3CBKMT2A
SCHEMBL21121002 0.76 KMT2A (0.58) PIK3CAMTORPIK3CDPIK3CBKMT2A
SCHEMBL26647400 0.76 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CBKMT2A
SCHEMBL31254440 0.75 NPC1 (0.58) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL245978 0.75 PTPN11 (0.69) PIK3CAPIK3CDPIK3CBKMT2APTPN11
SCHEMBL8191281 0.74 POLB (0.57) PIK3CAMTORPIK3CDPIK3CBKDM4E
SCHEMBL10998627 0.73 PIK3CA (0.52) PIK3CAMTORPIK3CDPIK3CBKMT2A
SCHEMBL1461650 0.73 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CBKMT2A

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
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD PIK3CA 337/4885MTOR 2215/4885PIK3CD 665/4885

“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.