SCHEMBL188390

SCHEMBL188390

CC1CCN(c2cc[c]cc2)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
KMT2A Q03164 2/20 0.36
L3MBTL3 Q96JM7 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR119 Q8TDV5 3/20 0.32
LMNA P02545 1/20 0.31
MBTD1 Q05BQ5 1/20 0.31
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
ACHE P22303 1/20 0.31
BRCA1 P38398 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MCL1 Q07820 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30

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
SCHEMBL1810917 0.76 ALDH1A1 (0.34) USP2KMT2AL3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL550942 0.76 USP2 (0.55) USP2KMT2AL3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL27568454 0.74 ALDH1A1 (0.33) USP2KMT2AL3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL1813820 0.71 BRD4 (0.39) KMT2ALMNAGFER
SCHEMBL5795262 0.71
SCHEMBL17838713 0.70 L3MBTL3 (0.42) USP2KMT2AL3MBTL3L3MBTL1GPR119
SCHEMBL25258039 0.69 TP53BP1 (0.35) KMT2AL3MBTL3L3MBTL1MEN1
SCHEMBL1030116 0.69 USP2 (0.43) USP2KMT2AL3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL1033336 0.69 USP2 (0.43) USP2KMT2AL3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL1033516 0.69 USP2 (0.43) USP2KMT2AL3MBTL3L3MBTL1SMN1; SMN2

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-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
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 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-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK USP2 3373/4885CA1 3809/4885CA2 2786/4885

“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.