SCHEMBL8513730

SCHEMBL8513730

CC(O)c1c[c]ccc1N1CCN(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 2/20 0.37
▸ DRD2 P14416 5/20 0.35
▸ DRD3 P35462 5/20 0.35
▸ DRD4 P21917 3/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ MAPT P10636 4/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ PTK2B Q14289 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4117842 0.87 ADRA2C (0.39) ADRA2CDRD2DRD3DRD4HTR2A
SCHEMBL3582056 0.78 ADRA2C (0.39) ADRA2CDRD2DRD3DRD4HTR2A
SCHEMBL16463118 0.76 ADRA2C (0.43) ADRA2CDRD2DRD3DRD4HTR2A
SCHEMBL188362 0.75 ADRA2C (0.42) ADRA2CDRD2DRD3DRD4HTR2A
SCHEMBL4113163 0.75 DRD2 (0.51) ADRA2CDRD2DRD3DRD4HTR2A
SCHEMBL3891455 0.74 DRD2 (0.44) ADRA2CDRD2DRD3DRD4KDM4E
SCHEMBL188725 0.73 ALDH1A1 (0.44) ADRA2CDRD2DRD3KDM4EMAPT
SCHEMBL29036649 0.73 ADRA2C (0.58) ADRA2CDRD2DRD3KDM4EMAPT
SCHEMBL4173801 0.73 DRD2 (0.45) ADRA2CDRD2DRD3DRD4HTR2A
SCHEMBL26609261 0.73 ADRA2C (0.41) ADRA2CDRD2DRD3DRD4HTR2A

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-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 — — US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 — — 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-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK ADRA2C 1807/4885DRD2 4041/4885DRD3 3775/4885

“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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