SCHEMBL4243835

SCHEMBL4243835

c1cc2nc(N3CCOCC3)ncc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
PIK3CA P42336 5/20 0.47
PIK3R1 P27986 2/20 0.47
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
MTOR P42345 2/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CB P42338 2/20 0.43
HSD17B10 Q99714 3/20 0.42
CYP1A2 P05177 3/20 0.42
USP2 O75604 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 3/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
JAK3 P52333 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL17461385 0.83 ADRB1 (0.43) KDM4EALDH1A1MAPK1TSHRHSD17B10
Hydrochloric Acid SCHEMBL28679060 0.82 ALDH1A1 (0.45) KDM4EALDH1A1MAPK1TSHRHSD17B10
SCHEMBL1360345 0.77 PIK3CA (0.58) KDM4EPIK3CAPIK3R1ALDH1A1MAPK1
SCHEMBL1674211 0.76 JAK2 (0.59) MAPK1TP53
SCHEMBL22576043 0.75 TP53 (0.45) KDM4EPIK3CAPIK3R1ALDH1A1TSHR
SCHEMBL336706 0.74 PIK3CD (0.50) KDM4EPIK3CAALDH1A1MAPK1TSHR
SCHEMBL30438100 0.74 SYK (0.49) PIK3CAALDH1A1MTORPIK3CDPIK3CB
SCHEMBL2420211 0.73 HTR3A (0.67) KDM4EPIK3CAALDH1A1MAPK1MTOR
SCHEMBL29460463 0.73 HTR3A (0.67) KDM4EPIK3CAALDH1A1MAPK1MTOR
SCHEMBL4767779 0.73 MAPT (0.47) KDM4EPIK3CAALDH1A1MTORHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149458-A1 PYRROLO[3,2-d]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND mTOR KINASE INHIBITORS WYETH (US) 2009-06-11 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-20090149458-A1 PYRROLO[3,2-d]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND mTOR KINASE INHIBITORS MTOR, PIK3CA, PIK3CD KDM4E 1572/4885PIK3CA 2/4885PIK3R1 35/4885

“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.