SCHEMBL2949449

SCHEMBL2949449

C=CCCN(N)c1nc(Cl)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.39
CHRNA7 P36544 8/20 0.38
POLB P06746 1/20 0.37
GFER P55789 2/20 0.37
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
RORC P51449 1/20 0.35
SRC P12931 1/20 0.35
PTGER4 P35408 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL2957889 0.90 HPGD (0.36) CHRNA7POLBSRC
SCHEMBL20558385 0.83 RXFP1 (0.46) RXFP1CHRNA7POLBGFERJUN
SCHEMBL20558359 0.79 RXFP1 (0.43) RXFP1CHRNA7POLBGFERJUN
SCHEMBL4701156 0.77 RXFP1 (0.40) RXFP1CHRNA7POLBGFERJUN
SCHEMBL20558353 0.76 LCK (0.43) RXFP1CHRNA7POLBJUNNFKB1
SCHEMBL27208466 0.76 CHRNA7 (0.41) RXFP1CHRNA7POLBJUNNFKB1
SCHEMBL22145328 0.76 LCK (0.42) RXFP1CHRNA7POLBJUNNFKB1
SCHEMBL22145718 0.75 CHRNA7 (0.53) RXFP1CHRNA7POLBJUNNFKB1
SCHEMBL2949398 0.74 RXFP1 (0.51) RXFP1CHRNA7POLBGFERJUN
SCHEMBL20558241 0.74 CHRNA7 (0.44) CHRNA7POLBJUNNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763624-B2 Substituted pyrazolo[3,4-d]pyrimidines as ACK-1 and LCK inhibitors AMGEN INC. (US) 2010-07-27 US disclosed
US-7763624-B2 Substituted pyrazolo[3,4-d]pyrimidines as ACK-1 and LCK inhibitors AMGEN INC. (US) 2010-07-27 US disclosed
US-7763624-B2 Substituted pyrazolo[3,4-d]pyrimidines as ACK-1 and LCK inhibitors AMGEN INC. (US) 2010-07-27 US disclosed
EP-1926734-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS USEFUL AS KINASE ENZYMES MODULATORS Amgen Inc. (US) 2008-06-04 EP disclosed
US-20070072851-A1 Pyrazolopyridine and pyrazolopyrimidine compounds AMGEN INC. (US) 2007-03-29 US disclosed
US-20070072851-A1 Pyrazolopyridine and pyrazolopyrimidine compounds AMGEN INC. (US) 2007-03-29 US disclosed
US-20070072851-A1 Pyrazolopyridine and pyrazolopyrimidine compounds AMGEN INC. (US) 2007-03-29 US disclosed
WO-2007024680-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS USEFUL AS KINASE ENZYMES MODULATORS AMGEN INC. (US) 2007-03-01 WO disclosed
WO-2007024680-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS USEFUL AS KINASE ENZYMES MODULATORS AMGEN INC. (US) 2007-03-01 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-20070072851-A1 Pyrazolopyridine and pyrazolopyrimidine compounds LCK, MAP4K5, TPMT RXFP1 4446/4885CHRNA7 4725/4885POLB 2403/4885

“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.