SCHEMBL9106568

SCHEMBL9106568

COc1cccc(-c2nc3c(C(N)=O)[c]ccn3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
IKBKB O14920 1/20 0.45
CSNK1D P48730 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
PARP1 P09874 3/20 0.43
PIK3CA P42336 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
KLK3 P07288 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.41
CSNK2A1 P68400 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL9107219 0.86 PARP1 (0.41) RIPK2NR1H2NR1H3IKBKBCSNK1D
SCHEMBL9108527 0.85 PARP1 (0.39) RIPK2NR1H2NR1H3CSNK1DSMN1; SMN2
SCHEMBL9108917 0.84 PARP1 (0.46) CSNK1DPARP1PIK3CAMAPTLMNA
SCHEMBL9109419 0.83 PARP1 (0.45) CSNK1DPARP1PIK3CA
SCHEMBL9104561 0.82 PARP1 (0.61) NR1H2NR1H3IKBKBCSNK1DSMN1; SMN2
SCHEMBL9108905 0.78 JAK2 (0.44) IKBKBPARP1ALDH1A1RECQLTSHR
SCHEMBL9107989 0.77 PARP1 (0.46) IKBKBSMN1; SMN2PARP1MAPTKLK3
SCHEMBL9106392 0.77 PARP1 (0.47) CSNK1DPARP1MAPTCSNK2A1
SCHEMBL9109267 0.76 PARP1 (0.39) CSNK1DPARP1
SCHEMBL3091864 0.71 PARP1 (0.49) RIPK2IKBKBPARP1ALDH1A1MAPT

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
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US claimed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 US claimed
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
EP-2649070-A1 TRIAZOLOPYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-16 EP disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 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-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS PDE5A, PDE3A, PDE3B RIPK2 3896/4885NR1H2 3239/4885NR1H3 3794/4885

“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.