SCHEMBL2824003

SCHEMBL2824003

CC1(C)CCc2c(O)nc(O)c(C#N)c2C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.37
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL1337511 0.94 IDH1 (0.37) IDH1MAPK1KDM4EALDH1A1
SCHEMBL15878015 0.84 IDH1 (0.49) IDH1MAPK1KDM4EALDH1A1HPGD
SCHEMBL5325661 0.80 IDH1 (0.32) IDH1MAPK1ALDH1A1
SCHEMBL2826099 0.74 ALDH1A1 (0.48) IDH1MAPK1KDM4EALDH1A1HPGD
SCHEMBL23930705 0.73 HTT (0.42) MAPK1KDM4EALDH1A1HPGD
SCHEMBL30110486 0.73 HTT (0.42) MAPK1KDM4EALDH1A1HPGD
SCHEMBL4048718 0.72 KDM4E (0.62) MAPK1KDM4EALDH1A1HPGD
SCHEMBL13172069 0.71 KDM4E (0.42) IDH1MAPK1KDM4EALDH1A1HPGD
SCHEMBL15893181 0.70 IDH1 (0.48) IDH1MAPK1KDM4EALDH1A1HPGD
SCHEMBL24590226 0.69 MAPKAPK2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226323-A1 New tetrahydropyrazolo[3,4-c]isoquinolin-5-amine derivatives Almirall, S.A. (ES) 2010-09-08 EP disclosed
EP-2226323-A1 New tetrahydropyrazolo[3,4-c]isoquinolin-5-amine derivatives Almirall, S.A. (ES) 2010-09-08 EP disclosed
WO-2010097172-A1 NEW TETRAHYDROPYRAZOLO[3,4-C]ISOQUINOLIN-5-AMINE DERIVATIVES ALMIRALL, S.A. (ES) 2010-09-02 WO disclosed
WO-2010097172-A1 NEW TETRAHYDROPYRAZOLO[3,4-C]ISOQUINOLIN-5-AMINE DERIVATIVES ALMIRALL, S.A. (ES) 2010-09-02 WO disclosed
EP-1819710-B1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES ALMIRALL LAB (ES) 2009-03-11 EP disclosed
US-20090029955-A1 Pyridothienopyrimidine Derivatives ALMIRALL PRODESFARMA S.A. (ES) 2009-01-29 US disclosed
CN-101068816-A Novel thienopyridinepyrimidine derivatives ALMIRALL LAB S A (ES) 2007-11-07 CN 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-20090029955-A1 Pyridothienopyrimidine Derivatives PNPO, PDE4A, DPYD IDH1 654/4885MAPK1 1890/4885KDM4E 1600/4885

“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.