SCHEMBL6232549

SCHEMBL6232549

O=c1c(Br)c(Nc2ccccc2)cnn1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 4/20 0.49
KAT2B Q92831 2/20 0.49
BRD9 Q9H8M2 2/20 0.49
BRD4 O60885 2/20 0.49
PFKFB3 Q16875 1/20 0.46
MAPK14 Q16539 2/20 0.46
ALDH1A1 P00352 5/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
PPARG P37231 2/20 0.44
NCOA2 Q15596 2/20 0.44
NCOA1 Q15788 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.43
MAPT P10636 2/20 0.43
NPBWR1 P48145 1/20 0.43

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
SCHEMBL4047300 0.80 ALDH1A1 (0.54) PFKFB3ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL6237378 0.78 SMN1; SMN2 (0.69) KAT2BBRD9BRD4PFKFB3MAPK14
SCHEMBL6604659 0.78 PFKFB3 (0.52) PFKFB3ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL6370927 0.77 PFKFB3 (0.45) PFKFB3MAPK14ALDH1A1HTTSMN1; SMN2
Benzyl Bromide SCHEMBL7816396 0.75 ALDH1A1 (0.49) PFKFB3ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL4178254 0.74 ALDH1A1 (0.61) PFKFB3MAPK14ALDH1A1HTTSMN1; SMN2
SCHEMBL6376389 0.74 MAPK14 (0.68) BPTFKAT2BBRD9BRD4MAPK14
SCHEMBL6271937 0.74 ALDH1A1 (0.50) ALDH1A1HTTSMN1; SMN2LMNANPSR1
SCHEMBL6232624 0.73 MAPK14 (0.67) PFKFB3MAPK14ALDH1A1HTTNPBWR1
SCHEMBL6378489 0.73 NPBWR1 (0.54) PFKFB3MAPK14ALDH1A1HTTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256122-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-11-17 US disclosed
WO-2005007632-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 PHARMACIA CORPORATION (US) 2005-01-27 WO disclosed
US-20050020594-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-01-27 US disclosed
US-20040142932-A1 Substituted pyridazinones PHARMACIA CORPORATION 2004-07-22 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 (3 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-20040142932-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 BPTF 2891/4885KAT2B 3107/4885BRD9 3883/4885
US-20050020594-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 BPTF 2698/4885KAT2B 3027/4885BRD9 3940/4885
US-20050256122-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 BPTF 2698/4885KAT2B 3027/4885BRD9 3940/4885

“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.