SCHEMBL16001187

SCHEMBL16001187

CN(C)C1CCN(c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.47
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ CYP3A4 P08684 2/20 0.43
▸ HSD11B1 P28845 5/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ L3MBTL3 Q96JM7 2/20 0.40
▸ RORC P51449 1/20 0.40
▸ CHIT1 Q13231 1/20 0.40
▸ CHIA Q9BZP6 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL12744589 0.90 MCHR1 (0.49) HRH3HTR2AHTR2CRORCMCHR1
SCHEMBL12744587 0.90 MCHR1 (0.49) HRH3HTR2AHTR2CRORCMCHR1
SCHEMBL25675637 0.82 ACACB (0.39) HRH3HTR2AHTR2CHSD11B1MAPK1
SCHEMBL29303928 0.81 FPR1 (0.48) HRH3HTR2AHTR2CHSD11B1MCHR1
SCHEMBL8726331 0.80 ADRB1 (0.50) HTR2AHTR2CL3MBTL1NPC1MAPT
SCHEMBL15996590 0.80 USP2 (0.54) HRH3HSD11B1MAPK1L3MBTL1NPC1
SCHEMBL12666602 0.80 HRH3 (0.50) HRH3CYP3A4HSD11B1MAPK1L3MBTL1
SCHEMBL20178041 0.79 HSD11B1 (0.57) HRH3HSD11B1MAPK1L3MBTL1NPC1
SCHEMBL5539933 0.79 KDM4E (0.49) L3MBTL1MAPTLMNAL3MBTL3RORC
SCHEMBL22837830 0.79 HTR2A (0.43) HTR2AHTR2CCYP3A4L3MBTL1NPC1

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
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
US-9346801-B2 Substituted 7-oxo-pyrido[2,3-d]pyrimidines and methods of use AMGEN INC. (US) 2016-05-24 — — US disclosed
US-20140249131-A1 Substituted 7-Oxo-Pyrido[2,3-d]Pyrimidines and Methods of Use AMGEN INC. 2014-09-04 — — 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-20230159540-A1 PYRAZOLO[3,4-d]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR WEE1, WEE2, PEAK1 HRH3 3498/4885HTR2A 4820/4885HTR2C 4534/4885
US-20140249131-A1 Substituted 7-Oxo-Pyrido[2,3-d]Pyrimidines and Methods of Use DPYD, TYMP, TYMS HRH3 2739/4885HTR2A 2033/4885HTR2C 919/4885

“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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