SCHEMBL5259487

SCHEMBL5259487

O=C(NCCCn1ccnc1)c1ccc(Nc2ncc(Br)c(Nc3ccccn3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NAMPT P43490 4/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP19A1 P11511 1/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
IGF1R P08069 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL5257530 0.91 NAMPT (0.59) NPC1SMN1; SMN2NAMPTKMT2AALDH1A1
SCHEMBL5263041 0.90 ALDH1A1 (0.54) NPC1SMN1; SMN2NAMPTKMT2AALDH1A1
SCHEMBL5259759 0.82 BRAF (0.55) IGF1R
SCHEMBL5258880 0.81 NAMPT (0.59) NPC1SMN1; SMN2NAMPTKMT2AALDH1A1
SCHEMBL5258421 0.81 NAMPT (0.59) NPC1SMN1; SMN2NAMPTKMT2AALDH1A1
SCHEMBL6952862 0.80 IGF1R (0.50) NAMPTIGF1R
SCHEMBL5262136 0.77 GSK3B (0.78) IGF1R
SCHEMBL6226700 0.74 SMN1; SMN2 (0.54) NPC1SMN1; SMN2NAMPTKMT2AALDH1A1
SCHEMBL21098369 0.74 SMN1; SMN2 (0.89) NPC1SMN1; SMN2KMT2AALDH1A1CYP19A1
SCHEMBL4770380 0.73 SMN1; SMN2 (0.78) NPC1SMN1; SMN2KMT2AALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268444-B1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2007-01-17 EP claimed
US-6649608-B2 Cyclin-dependent serine/threonine and focal adhesion kinase inhibitors ASTRAZENECA AB (SE) 2003-11-18 US claimed
US-20030149266-A1 2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-08-07 US claimed

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-20030149266-A1 2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents CDK2, CCNI, CDK1 NPC1 4853/4885SMN1; SMN2 1728/4885NAMPT 2652/4885

“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.