SCHEMBL12078774

SCHEMBL12078774

Nc1nc2cncc(-c3ccccc3)n2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 3/20 0.66
▸ KDM4E B2RXH2 2/20 0.48
▸ FYN P06241 7/20 0.46
▸ EGLN2 Q96KS0 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAP4K4 O95819 1/20 0.43
▸ PAK4 O96013 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ RET P07949 1/20 0.43
▸ GRK5 P34947 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ ACVR1 Q04771 1/20 0.43
▸ PTK2 Q05397 1/20 0.43
▸ TYRO3 Q06418 1/20 0.43
▸ MAP4K2 Q12851 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ IKBKE Q14164 1/20 0.43

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
SCHEMBL15269263 0.88 NUDT1 (0.55) NUDT1KDM4EFYNEGLN2JAK1
SCHEMBL2252174 0.84 NUDT1 (0.46) NUDT1KDM4EFYNEGLN2JAK1
SCHEMBL12078566 0.80 FYN (0.46) NUDT1KDM4EFYNALDH1A1DYRK1A
SCHEMBL15269196 0.80 JAK1 (0.56) NUDT1KDM4EFYNEGLN2JAK1
SCHEMBL2144054 0.79 NUDT1 (1.00) NUDT1KDM4EEGLN2JAK1ALDH1A1
SCHEMBL2634433 0.78 PIK3CG (0.54) NUDT1JAK1PTK2PIK3CDPIK3CG
SCHEMBL32664865 0.76 NUDT1 (0.39) NUDT1KDM4EEGLN2JAK1ALDH1A1
SCHEMBL15289888 0.76 JAK2 (0.43) NUDT1KDM4EFYNJAK1SMN1; SMN2
SCHEMBL15268998 0.75 FYN (0.46) NUDT1FYNGRK5PIK3CDPIK3CG
SCHEMBL15268822 0.75 EGLN2 (0.45) NUDT1KDM4EEGLN2JAK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681214-B1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-22 — — EP disclosed
US-8703763-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2014-04-22 — — US disclosed
EP-2681214-A1 BRIDGED PIPERIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-01-08 — — EP disclosed
WO-2012116965-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-07 — — WO disclosed
US-20120225884-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-06 — — US 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-20120225884-A1 BRIDGED PIPERIDINE DERIVATIVES HPGDS, APP, PSEN1 NUDT1 2707/4885KDM4E 2753/4885FYN 965/4885

“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.

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