SCHEMBL6861142

SCHEMBL6861142

Nc1ncnc2[nH]c(Br)c(-c3ccc(Oc4ccccc4)cc3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT14 O95848 2/20 0.53
NUDT5 Q9UKK9 2/20 0.53
PIK3CD O00329 2/20 0.53
PIK3CA P42336 2/20 0.53
PIK3CB P42338 2/20 0.53
PIK3CG P48736 2/20 0.53
PRKDC P78527 2/20 0.53
LCK P06239 17/20 0.52
TEK Q02763 15/20 0.52
KDR P35968 13/20 0.52
SRC P12931 6/20 0.46
LYN P07948 2/20 0.43
BTK Q06187 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
RGS12 O14924 1/20 0.43
NPC1 O15118 1/20 0.43
GMNN O75496 1/20 0.43
ALDH1A1 P00352 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL20162699 0.79 SRC (0.48) LCKTEKKDRSRCLYN
SCHEMBL12675873 0.79 KDM4E (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL14241118 0.78 NUDT14 (0.56) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL4823724 0.77 PIK3CG (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL200349 0.73 NUDT14 (0.62) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL29552165 0.73 NUDT14 (0.55) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL410257 0.73 NUDT14 (0.55) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL24458661 0.73 LCK (0.50) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL29439185 0.72 NUDT14 (0.61) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
Bromide SCHEMBL6865619 0.72 NUDT14 (0.54) NUDT14NUDT5PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713474-B2 SERINE-THREONINE AND TYROSINE KINASE INHIBITORS ABBOTT GMBH & CO. KG (DE) 2004-03-30 US disclosed
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-08-14 US disclosed
CN-1335849-A Pyrrolopyrimidines as protein kinase inhibitors BASF AG (DE) 2002-02-13 CN disclosed
EP-1114053-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 EP disclosed
WO-2000017203-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 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-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI NUDT14 1246/4885NUDT5 888/4885PIK3CD 430/4885

“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.