SCHEMBL25675646

SCHEMBL25675646

Cc1cc(C(C)(C)C)ccc1N1CC[C@@H](N(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.40
HRH3 Q9Y5N1 3/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
MAPK8 P45983 2/20 0.37
BTK Q06187 2/20 0.37
MRGPRX2 Q96LB1 2/20 0.37
MAPK10 P53779 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
LCK P06239 2/20 0.36
KDR P35968 2/20 0.36
TEK Q02763 2/20 0.36
WDR5 P61964 1/20 0.36
MAP4K4 O95819 1/20 0.36
MCHR1 Q99705 3/20 0.36
HTR1D P28221 2/20 0.36
HTR3A P46098 2/20 0.36
HTR6 P50406 2/20 0.36

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
SCHEMBL25675644 1.00 HRH4 (0.40) HRH4HRH3PIM1PIM3PIM2
SCHEMBL24123882 0.91 HTR2A (0.39) HRH4HRH3HTR2AHTR2CLCK
SCHEMBL24123765 0.88 HRH3 (0.38) HRH4HRH3HTR2AHTR2CHTR1D
SCHEMBL10203188 0.86 FPR1 (0.41) HRH4HRH3PIM1PIM3PIM2
SCHEMBL25678336 0.84 HRH4 (0.37) HRH4HRH3PIM1PIM3PIM2
SCHEMBL25678335 0.84 HRH4 (0.37) HRH4HRH3PIM1PIM3PIM2
SCHEMBL26417665 0.84 HRH4 (0.37) HRH4HRH3PIM1PIM3PIM2
SCHEMBL10036162 0.81 ALDH1A1 (0.54) HRH4HRH3PIM1PIM3PIM2
SCHEMBL12744589 0.79 MCHR1 (0.49) HRH4HRH3HTR2AHTR2CMCHR1
SCHEMBL12744587 0.79 MCHR1 (0.49) HRH4HRH3HTR2AHTR2CMCHR1

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-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

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 HRH4 2956/4885HRH3 3498/4885PIM1 204/4885

“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.