SCHEMBL21385446

SCHEMBL21385446

C[C@@H]1Cc2ncnc(O)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.39
GPR119 Q8TDV5 7/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
SRC P12931 4/20 0.32
PIK3CD O00329 2/20 0.32
ATR Q13535 1/20 0.32
ATRIP Q8WXE1 1/20 0.32
MKNK1 Q9BUB5 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
SCHEMBL21807492 0.90 MAP4K4 (0.39) MAP4K4GPR119MEN1KMT2AMAPK1
SCHEMBL20593266 0.82 GRM5 (0.34) ATRATRIP
SCHEMBL20593269 0.82 GRM5 (0.34) ATRATRIP
SCHEMBL2795279 0.79 P2RX7 (0.41) MAP4K4GPR119MEN1KMT2AMKNK1
SCHEMBL31569496 0.77 MEN1 (0.38) MAP4K4GPR119MEN1KMT2A
SCHEMBL31569051 0.77 MEN1 (0.38) MAP4K4GPR119MEN1KMT2A
SCHEMBL1329919 0.75 ESR2 (0.48) MKNK1
SCHEMBL31548527 0.75 ESR2 (0.48) MKNK1
SCHEMBL22715947 0.73 ESR2 (0.43) MAP4K4GPR119MEN1KMT2AMAPK1
SCHEMBL21807224 0.73 MAP4K4 (0.38) MAP4K4GPR119MAPK1

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-10745420-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-08-18 US disclosed
US-10421765-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-09-24 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 (2 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-10421765-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase ATR, DTYMK, CHEK1 MAP4K4 196/4885GPR119 3577/4885MEN1 3160/4885
US-10745420-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase ATR, DTYMK, CHEK1 MAP4K4 196/4885GPR119 3577/4885MEN1 3160/4885

“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.