SCHEMBL25675637

SCHEMBL25675637

CN(C)C1CN(c2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.39
▸ HSD11B1 P28845 7/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL12744587 0.86 MCHR1 (0.49) HTR2AHTR2CHRH3MCHR1
SCHEMBL12744589 0.86 MCHR1 (0.49) HTR2AHTR2CHRH3MCHR1
SCHEMBL29303928 0.84 FPR1 (0.48) HSD11B1HTR2AHTR2CHRH3MCHR1
SCHEMBL16001187 0.82 HRH3 (0.47) HSD11B1HTR2AHTR2CHRH3MAPK1
SCHEMBL24243092 0.80 ALDH1A1 (0.41) ACACBHTR2CHRH3MAPTALDH1A1
SCHEMBL24123779 0.79 ADRB1 (0.44) HRH3NPC1L3MBTL1MAPTLMNA
SCHEMBL26796037 0.79 HSD11B1 (0.41) ACACBHSD11B1HRH3MAPK1NPC1
SCHEMBL30206343 0.77 MCHR1 (0.37) HTR2AHTR2CHRH3MCHR1
SCHEMBL12499527 0.77 HRH3 (0.37) HTR2AHTR2CHRH3MCHR1
SCHEMBL189433 0.77 MAPT (0.47) HRH3MAPK1NPC1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159540-A1 PYRAZOLO[3,4-d]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR (CN) 2023-05-25 — — US disclosed
US-20230159540-A1 PYRAZOLO[3,4-d]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR (CN) 2023-05-25 — — US disclosed
EP-4169919-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2023-04-26 — — EP 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-20230159540-A1 PYRAZOLO[3,4-d]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR WEE1, WEE2, PEAK1 ACACB 4450/4885HSD11B1 789/4885HTR2A 4820/4885

“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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