SCHEMBL4975460

SCHEMBL4975460

CN(c1ccncc1)c1ccc2cc[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.39
CHRM5 P08912 1/20 0.38
CHKA P35790 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
AXL P30530 1/20 0.37
NUDT1 P36639 1/20 0.37
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
MAPK1 P28482 1/20 0.33
BRD4 O60885 1/20 0.33
SLC6A2 P23975 2/20 0.33
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DHFR P00374 2/20 0.31
TLR8 Q9NR97 1/20 0.31

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
SCHEMBL417329 0.82 NUDT1 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGAXL
SCHEMBL411599 0.75 AXL (0.46) AXLNUDT1MAPK1BRD4SLC6A2
SCHEMBL21088279 0.73 APP (0.52) AXLNUDT1MAPK1BRD4
SCHEMBL13557864 0.70 NCF1 (0.59) CHRM5CHKAMAPK1SLC6A2MAPT
SCHEMBL4975356 0.69 GBA1 (0.38) AXLNUDT1BRD4
SCHEMBL417520 0.69 JAK3 (0.47) BRD4
SCHEMBL3409151 0.67 CHRM5 (0.68) CHRM5CHKAMAPK1SLC6A2MAPT
SCHEMBL2131477 0.66 CHRM5 (0.43) TGFBR1CHRM5CHKASLC6A2MAPT
SCHEMBL415512 0.66 JAK3 (0.55) SMN1; SMN2
SCHEMBL12984392 0.64 GABRP (0.47) CHRM5CHKAMAPTSMN1; SMN2DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US claimed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP disclosed
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 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-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS TGFBR1 2960/4885CHRM5 3140/4885CHKA 2035/4885

“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.