SCHEMBL2992617

SCHEMBL2992617

CCOc1ccnc2[nH]ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.55
S1PR1 P21453 1/20 0.53
S1PR3 Q99500 1/20 0.53
PRKCI P41743 3/20 0.50
AXL P30530 1/20 0.50
CCNK O75909 3/20 0.47
CDK12 Q9NYV4 3/20 0.47
BRD4 O60885 1/20 0.47
TTBK1 Q5TCY1 1/20 0.46
TTBK2 Q6IQ55 1/20 0.46
AURKB Q96GD4 3/20 0.45
CDK9 P50750 2/20 0.45
CDK5 Q00535 2/20 0.45
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45

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
SCHEMBL2988049 0.86 NUDT1 (0.52) NUDT1S1PR1S1PR3PRKCIAXL
SCHEMBL30461709 0.86 NUDT1 (0.52) NUDT1S1PR1S1PR3PRKCIAXL
SCHEMBL29424797 0.81 BRD4 (0.60) NUDT1PRKCIAXLCCNKCDK12
SCHEMBL298491 0.81 BRD4 (0.60) NUDT1PRKCIAXLCCNKCDK12
SCHEMBL12605521 0.81 CCNK (0.51) NUDT1S1PR1S1PR3PRKCIAXL
SCHEMBL859080 0.80 AURKB (0.55) NUDT1S1PR1S1PR3PRKCICCNK
SCHEMBL2986157 0.77 CIT (0.50) NUDT1PRKCIAXLBRD4TTBK1
SCHEMBL2999856 0.77 AURKB (0.51) NUDT1PRKCIAXLCCNKCDK12
SCHEMBL12605416 0.76 JAK3 (0.50) NUDT1PRKCIAXLBRD4AURKB
SCHEMBL10125454 0.76 S1PR1 (0.54) NUDT1S1PR1S1PR3PRKCIAXL

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
EP-2125803-B1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF CENTRE NAT RECH SCIENT (FR) 2013-04-10 EP disclosed
US-20100184790-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-07-22 US disclosed
EP-2125803-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF Centre National de la Recherche Scientifique (FR) 2009-12-02 EP disclosed
WO-2008129152-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-10-30 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-20100184790-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF BAD, PPOX, CASP3 NUDT1 658/4885S1PR1 2043/4885S1PR3 1280/4885

“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.