SCHEMBL6318945

SCHEMBL6318945

Nc1ncc(-c2ccc(Br)cc2)c(Nc2cnc3ccccc3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.44
PIK3CA P42336 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GRM4 Q14833 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALPL P05186 3/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDR P35968 2/20 0.40
EGFR P00533 1/20 0.40
BCL6 P41182 2/20 0.39
DHFR P00374 1/20 0.39
BIRC5 O15392 1/20 0.39

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
SCHEMBL6315288 0.87 PDGFRB (0.49) TNFPIK3CAGRM4NPSR1ALDH1A1
SCHEMBL6318862 0.87 DHFR (0.56) TNFPIK3CAGRM4NPSR1KDR
SCHEMBL6313731 0.85 PIK3CA (0.41) TNFPIK3CAKMT2AGRM4NPSR1
SCHEMBL6312550 0.84 CA12 (0.56) TNFPIK3CAKMT2AGRM4ALPL
SCHEMBL6314083 0.84 BCL6 (0.44) TNFPIK3CAMEN1KMT2AGRM4
SCHEMBL6320672 0.82 MAPT (0.50) PIK3CAKMT2ANPSR1MAPTSMN1; SMN2
SCHEMBL6317775 0.81 BCL6 (0.42) TNFPIK3CAMEN1KMT2AGRM4
SCHEMBL6312244 0.80 CYP1A2 (0.52) TNFPIK3CAMEN1KMT2AALDH1A1
SCHEMBL6313258 0.80 DYRK1A (0.43) TNFPIK3CAGRM4NPSR1BCL6
SCHEMBL6313126 0.80 HTR3A (0.52) PIK3CAMAPTSMN1; SMN2EGFRDHFR

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
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US claimed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT TNF 3038/4885PIK3CA 423/4885MEN1 1164/4885

“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.