SCHEMBL188654

SCHEMBL188654

CN1CCN(c2cc[c]cc2)C(CO)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32
MMP14 P50281 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
PLK1 P53350 2/20 0.30
PLK3 Q9H4B4 1/20 0.30
PLK2 Q9NYY3 1/20 0.30
HTR2A P28223 3/20 0.30
LMNA P02545 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 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
SCHEMBL12701198 0.84 MAPK1 (0.51) MAPK1SIGMAR1MMP14ADAMTS5HTR2A
SCHEMBL27372181 0.83 MAPT (0.41) MAPK1SIGMAR1MMP14ADAMTS5LMNA
SCHEMBL189028 0.82 CYP2D6 (0.32) CYP2D6SLC6A2SLC6A4
SCHEMBL188824 0.81 GFER (0.46) MAPK1SIGMAR1CA1CA2CA4
SCHEMBL14934671 0.81 MMP14 (0.45) SIGMAR1MMP14ADAMTS5DRD2DRD4
SCHEMBL22471285 0.81 GFER (0.46) MAPK1SIGMAR1CA1CA2CA4
SCHEMBL189033 0.81 GFER (0.46) MAPK1SIGMAR1CA1CA2CA4
SCHEMBL188042 0.77 MAPK1 (0.43) MAPK1HTR2ALMNAHTR2CHTR2B
SCHEMBL22471521 0.76 SIRT6 (0.52) LMNAMEN1TP53KMT2AALDH1A1
SCHEMBL2882411 0.76 FFAR1 (0.40) MEN1KMT2A

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 MAPK1 163/4885SIGMAR1 910/4885CA1 3809/4885

“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.