SCHEMBL2279760

SCHEMBL2279760

c1cc(C2CCCCC2)c2cc[nH]c2n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.55
JAK2 O60674 9/20 0.55
JAK1 P23458 9/20 0.55
TYK2 P29597 7/20 0.51
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
PRKCI P41743 2/20 0.47
AXL P30530 1/20 0.47
PDE2A O00408 1/20 0.47
PDE3A Q14432 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.46
AKT2 P31751 1/20 0.46
HPGDS O60760 1/20 0.45
OPRL1 P41146 2/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 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
SCHEMBL1982108 0.91 PRKCI (0.52) JAK3JAK2JAK1TYK2PRKCI
SCHEMBL12605434 0.85 ROCK1 (0.56) JAK3JAK2JAK1TYK2PRKCI
SCHEMBL12605431 0.84 CHEK1 (0.46) JAK3JAK2JAK1TYK2PRKCI
SCHEMBL4063065 0.83 JAK2 (0.56) JAK3JAK2JAK1TYK2PRKCI
SCHEMBL1723773 0.78 PRKCI (0.42) JAK3JAK2JAK1TYK2PRKCI
SCHEMBL21821940 0.76 PRKCI (0.44) JAK3JAK2JAK1TYK2PRKCI
SCHEMBL4420976 0.75 OPRL1 (0.71) JAK3JAK2TYK2AXLOPRL1
SCHEMBL1724113 0.75 PRKCI (0.46) JAK3JAK2JAK1TYK2PRKCI
SCHEMBL4054113 0.74 JAK2 (0.52) JAK3JAK2JAK1TYK2PDE2A
SCHEMBL30009345 0.74 JAK1 (0.60) JAK3JAK2JAK1TYK2PIK3C3

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
EP-2354140-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO 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

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 617/4885JAK2 510/4885JAK1 1501/4885

“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.