SCHEMBL2997004

SCHEMBL2997004

c1cc(OCC2CCCCC2)c2cc[nH]c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.49
JAK1 P23458 4/20 0.49
JAK2 O60674 3/20 0.49
CCNT1 O60563 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CDK2 P24941 1/20 0.46
CDK7 P50613 1/20 0.46
CDK9 P50750 1/20 0.46
CCNH P51946 1/20 0.46
CDK5 Q00535 1/20 0.46
AKT2 P31751 1/20 0.44
CIT O14578 1/20 0.42
PRKCI P41743 2/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
AXL P30530 1/20 0.41
NUAK1 O60285 1/20 0.41
NTRK1 P04629 1/20 0.41
TYK2 P29597 1/20 0.41
FLT3 P36888 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
SCHEMBL2989523 0.79 JAK3 (0.61) JAK3JAK1JAK2AKT2PRKCI
SCHEMBL12605416 0.74 JAK3 (0.50) JAK3JAK1JAK2CDK2CDK7
SCHEMBL2992617 0.73 NUDT1 (0.55) JAK3JAK2CCNT1CDK2CDK7
SCHEMBL12561813 0.72 JAK3 (0.58) JAK3JAK1JAK2CCNT1CDK1
SCHEMBL30461709 0.71 NUDT1 (0.52) JAK3JAK2CCNT1CDK2CDK7
SCHEMBL2279760 0.71 JAK3 (0.55) JAK3JAK1JAK2CDK2AKT2
SCHEMBL2988049 0.71 NUDT1 (0.52) JAK3JAK2CCNT1CDK2CDK7
SCHEMBL12605521 0.70 CCNK (0.51) JAK3JAK2CCNT1CDK7CDK9
SCHEMBL7867311 0.70 HTR1A (0.56)
SCHEMBL298491 0.70 BRD4 (0.60) JAK3JAK2CDK7CDK9CDK5

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 JAK3 617/4885JAK1 1501/4885JAK2 510/4885

“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.