SCHEMBL20909899

SCHEMBL20909899

Cc1cccc(N2CCNC2=O)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.61
MAP3K5 Q99683 1/20 0.55
RECQL P46063 1/20 0.51
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CRHR1 P34998 3/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 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
SCHEMBL30712348 0.80 ALOX5 (0.61) ALOX5MAP3K5PIM1PIM3PIM2
SCHEMBL23967046 0.80 MAP3K5 (0.49) ALOX5MAP3K5HTR3EHTR3BHTR3A
SCHEMBL2193369 0.80 ALOX5 (0.61) ALOX5MAP3K5PIM1PIM3PIM2
SCHEMBL25834672 0.78 CRBN (0.59) ALOX5RECQLHTR3EHTR3BHTR3A
SCHEMBL2130475 0.76 ALOX5 (0.57) ALOX5RECQLHTR3EHTR3BHTR3A
SCHEMBL30702779 0.74 CRBN (0.63) ALOX5MAP3K5PIM1GAACYP3A4
SCHEMBL2198674 0.74 CRBN (0.63) ALOX5MAP3K5PIM1GAACYP3A4
SCHEMBL20153301 0.73 RECQL (0.60) ALOX5RECQLHTR3EHTR3BHTR3A
SCHEMBL23126554 0.73 HTR3E (0.51) ALOX5MAP3K5RECQLHTR3EHTR3B
SCHEMBL10847778 0.72 MAP3K5 (0.48) ALOX5MAP3K5CYP1A2CYP3A4CYP2D6

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-10954253-B2 1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one derivative as Wee1 inhibitor Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2021-03-23 US disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO 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-10954253-B2 1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one derivative as Wee1 inhibitor WEE1, WEE2, CCNE1 ALOX5 3800/4885MAP3K5 441/4885RECQL 1491/4885

“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.