SCHEMBL21385394

SCHEMBL21385394

CC(C)(C)OC(=O)N1CC=C(c2ncnc3c2CN(Cc2ccccc2)CC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 8/20 0.47
▸ GRM1 Q13255 7/20 0.47
▸ PDK4 Q16654 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.43
▸ TNK2 Q07912 2/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ C5AR1 P21730 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ P2RX3 P56373 1/20 0.40
▸ SCN9A Q15858 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL20593344 0.84 KMT2A (0.39) NAMPTC5AR1KDM4ENPC1ALDH1A1
SCHEMBL21385436 0.78 C5AR1 (0.42) C5AR1GAAKMT2ASMN1; SMN2
SCHEMBL322273 0.78 C5AR1 (0.43) C5AR1ACHE
Trifluoroacetic Acid SCHEMBL20593214 0.78 CCNT1 (0.38) C5AR1KDM4ENPC1ALDH1A1GAA
SCHEMBL31198982 0.77 NAMPT (0.58) GRM5GRM1PDK4NAMPTTNK2
SCHEMBL322507 0.76 PIK3CD (0.51) —
SCHEMBL323067 0.76 PIK3CD (0.51) —
SCHEMBL322468 0.75 BTK (0.53) ALDH1A1MAPK1
SCHEMBL322467 0.75 BTK (0.53) ALDH1A1MAPK1
SCHEMBL19350217 0.75 PIK3CD (0.42) C5AR1ACHE

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 GRM5 3221/4885GRM1 2630/4885PDK4 568/4885
US-10745420-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase ATR, DTYMK, CHEK1 GRM5 3221/4885GRM1 2630/4885PDK4 568/4885

“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.

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