SCHEMBL3024048

SCHEMBL3024048

CN(CCNC(=O)c1cccc(Br)n1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 2/20 0.47
GRM5 P41594 1/20 0.46
SIGMAR1 Q99720 6/20 0.44
TMEM97 Q5BJF2 5/20 0.44
OPRM1 P35372 2/20 0.44
OPRK1 P41145 1/20 0.44
CTSA P10619 1/20 0.41
ALOX15 P16050 1/20 0.40
ACKR3 P25106 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CNR1 P21554 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6931 0.87 ALDH1A1 (0.57) ALDH1A1HPGDLMNAGRM5ALOX15
SCHEMBL10708175 0.80 ALDH1A1 (0.66) ALDH1A1HPGDLMNAGRM5CTSA
SCHEMBL14371962 0.79 ALDH1A1 (0.65) ALDH1A1HPGDLMNAGRM5CTSA
SCHEMBL3024050 0.77 HPGD (0.62) ALDH1A1HPGDLMNAGRM5CTSA
SCHEMBL3505447 0.77 ALDH1A1 (0.61) ALDH1A1HPGDLMNAGRM5CTSA
SCHEMBL1037003 0.76 ALDH1A1 (0.65) ALDH1A1HPGDLMNAGRM5OPRK1
SCHEMBL12247948 0.76 LMNA (0.57) ALDH1A1LMNAALOX15KDM4E
SCHEMBL31055457 0.76 HPGD (0.57) ALDH1A1HPGDLMNAGRM5CTSA
SCHEMBL24150763 0.76 ALDH1A1 (0.60) ALDH1A1HPGDLMNAGRM5CTSA
Hydrochloric Acid SCHEMBL10707808 0.76 ALDH1A1 (0.60) ALDH1A1HPGDLMNAGRM5CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US disclosed
WO-2008020203-A1 PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2008-02-21 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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF ALDH1A1 948/4885HPGD 1183/4885LMNA 1993/4885

“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.