SCHEMBL189033

SCHEMBL189033

CN1CCN(c2ccc(N)cc2)[C@@H](CO)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 3/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ADRA2C P18825 1/20 0.46
PTK2B Q14289 1/20 0.46
ESR2 Q92731 1/20 0.46
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.36
RAD52 P43351 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESRRG P62508 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
CASP6 P55212 1/20 0.34

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
SCHEMBL188824 1.00 GFER (0.46) GFERKDM4EGAAMAPTKMT2A
SCHEMBL22471285 1.00 GFER (0.46) GFERKDM4EGAAMAPTKMT2A
SCHEMBL27372181 0.86 MAPT (0.41) GFERMAPTKMT2AALDH1A1LMNA
SCHEMBL30997669 0.86 KDM4E (0.47) GFERKDM4EGAAMAPTKMT2A
SCHEMBL14934671 0.84 MMP14 (0.45) GAASIGMAR1MMP14ADAMTS5DRD2
SCHEMBL12701198 0.84 MAPK1 (0.51) KDM4EMAPTKMT2AALDH1A1ADRA2C
SCHEMBL29310314 0.82 KDM4E (0.44) GFERKDM4EGAAMAPTKMT2A
SCHEMBL188654 0.81 MAPK1 (0.36) KDM4EKMT2AALDH1A1ADRA2CLMNA
SCHEMBL22471521 0.79 SIRT6 (0.52) GAAMAPTKMT2AALDH1A1LMNA
SCHEMBL7039463 0.78 GBA1 (0.39) GFERKDM4EGAAMAPTKMT2A

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 GFER 1162/4885KDM4E 1155/4885GAA 3616/4885

“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.