SCHEMBL3933764

SCHEMBL3933764

CN(C)C(=O)C(C)(C)c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
NCEH1 Q6PIU2 1/20 0.38
DRD4 P21917 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL826639 0.84 KMT2A (0.45) RIPK1MEN1KMT2ASMN1; SMN2CA1
SCHEMBL16056375 0.79 KMT2A (0.60) RIPK1MEN1KMT2ASMN1; SMN2CA1
SCHEMBL3940386 0.79 KMT2A (0.44) RIPK1MEN1KMT2ASMN1; SMN2CA1
SCHEMBL31058225 0.78 RORC (0.42) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL27682637 0.78 RXRA (0.47) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL5642972 0.77 KMT2A (0.57) RIPK1MEN1KMT2ASMN1; SMN2DRD4
SCHEMBL6673729 0.77 KMT2A (0.43) RIPK1MEN1KMT2ASMN1; SMN2CA1
SCHEMBL1866251 0.76 CNR1 (0.47) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL31121937 0.76 CNR1 (0.47) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL31237128 0.75 KMT2A (0.41) RIPK1MEN1KMT2ASMN1; SMN2CA1

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-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 US disclosed
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP 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-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF RIPK1 1084/4885MEN1 1111/4885KMT2A 2503/4885

“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.