SCHEMBL16049533

SCHEMBL16049533

Oc1cc[c]c2nccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.38
METAP1 P53582 2/20 0.38
TSHR P16473 2/20 0.38
COMT P21964 2/20 0.38
MMP2 P08253 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA1A P35348 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KDM4E B2RXH2 11/20 0.33
L3MBTL1 Q9Y468 7/20 0.33
LMNA P02545 3/20 0.33
HSP90AA1 P07900 3/20 0.33
MAPT P10636 3/20 0.33
FTO Q9C0B1 3/20 0.33
HTT P42858 2/20 0.33
IDO1 P14902 2/20 0.33
MPI P34949 1/20 0.33
BRD4 O60885 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PSMB5 P28074 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
SCHEMBL16049793 0.74
SCHEMBL144184 0.71 METAP2 (0.48) METAP2METAP1TSHRCOMTMMP2
SCHEMBL3234189 0.70 METAP2 (0.50) METAP2METAP1TSHRCOMTMMP2
SCHEMBL165149 0.67
SCHEMBL3234401 0.65 TSHR (0.50) METAP2METAP1TSHRCOMTMMP2
SCHEMBL8467497 0.63 METAP2 (0.48) METAP2METAP1TSHRCOMTMMP2
SCHEMBL4870313 0.60 OPRK1 (0.33) METAP2KMT2A
SCHEMBL276921 0.59 ACHE (0.56) METAP2METAP1TSHRCOMTMMP2
SCHEMBL31311 0.59 MAPT (0.39) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL13271290 0.59 KDM4E (0.59) METAP2METAP1TSHRCOMTMMP2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed
US-9365545-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2016-06-14 US disclosed
US-20160046579-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC 2016-02-18 US disclosed
EP-2970189-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Agios Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC 2015-11-26 US disclosed
US-9108921-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2015-08-18 US disclosed
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2014-09-25 US disclosed
WO-2014139325-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed
WO-2014139144-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 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 (3 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-20160046579-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 METAP2 2562/4885METAP1 2190/4885TSHR 3053/4885
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 METAP2 2613/4885METAP1 2203/4885TSHR 3332/4885
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 METAP2 2613/4885METAP1 2203/4885TSHR 3332/4885

“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.