SCHEMBL3038409

SCHEMBL3038409

COCCCNC(C)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
SCN8A Q9UQD0 1/20 0.47
ALDH1A1 P00352 6/20 0.43
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
SMPD1 P17405 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 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
SCHEMBL3024666 0.90 ALDH1A1 (0.46) HTTSCN8AALDH1A1MAPTLMNA
SCHEMBL21798460 0.83 ALDH1A1 (0.52) HTTSCN8AALDH1A1MAPTLMNA
SCHEMBL21798457 0.83 ALDH1A1 (0.52) HTTSCN8AALDH1A1MAPTLMNA
SCHEMBL5470485 0.82 LMNA (0.48) HTTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL5470486 0.82 LMNA (0.48) HTTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL3035129 0.81 CA2 (0.43) HTTSCN8AALDH1A1MAPTLMNA
SCHEMBL3031567 0.80 SCN8A (0.47) HTTSCN8AALDH1A1MAPTLMNA
SCHEMBL5479317 0.77 LMNA (0.44) HTTALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5479312 0.77 LMNA (0.44) HTTALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3034755 0.77 CYP3A4 (0.44) HTTALDH1A1LMNASMN1; SMN2KMT2A

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 1 patent. 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

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 HTT 4823/4885SCN8A 4492/4885ALDH1A1 948/4885

“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.