SCHEMBL5263041

SCHEMBL5263041

Cc1cccc(Nc2nc(Nc3ccc(C(=O)NCCCn4ccnc4)cc3)ncc2Br)n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
CYP19A1 P11511 1/20 0.54
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
IGF1R P08069 2/20 0.48
KMT2A Q03164 2/20 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
POLB P06746 1/20 0.48
MAPK1 P28482 2/20 0.47
NAMPT P43490 2/20 0.46

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
SCHEMBL5259487 0.90 NPC1 (0.51) ALDH1A1CYP19A1HTTKDM4ESMN1; SMN2
SCHEMBL5257530 0.88 NAMPT (0.59) ALDH1A1CYP19A1HTTKDM4ESMN1; SMN2
SCHEMBL6641761 0.83 EGFR (0.49) HTTKDM4EIGF1RKMT2AMEN1
SCHEMBL5259735 0.82 BRAF (0.51) IGF1R
SCHEMBL6949387 0.81 IGF1R (0.50) IGF1RNAMPT
SCHEMBL5261586 0.81 IGF1R (0.48) IGF1R
SCHEMBL5258880 0.81 NAMPT (0.59) ALDH1A1CYP19A1HTTKDM4ESMN1; SMN2
SCHEMBL5258421 0.77 NAMPT (0.59) ALDH1A1CYP19A1HTTKDM4ESMN1; SMN2
SCHEMBL6226700 0.72 SMN1; SMN2 (0.54) ALDH1A1CYP19A1HTTKDM4ESMN1; SMN2
SCHEMBL21098369 0.72 SMN1; SMN2 (0.89) ALDH1A1CYP19A1HTTKDM4ESMN1; SMN2

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 ALDH1A1 1485/4885CYP19A1 2050/4885HTT 3886/4885

“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.