SCHEMBL5246989

SCHEMBL5246989

Cc1ccc(-n2c(-c3ccccc3Br)nc3ccccc3c2=O)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.78
MEN1 O00255 4/20 0.78
ALDH1A1 P00352 8/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
RAB9A P51151 2/20 0.59
TDO2 P48775 2/20 0.54
IDO2 Q6ZQW0 2/20 0.54
LMNA P02545 4/20 0.54
MAPT P10636 2/20 0.53
NPC1 O15118 1/20 0.53
NTRK1 P04629 1/20 0.53
ALOX5 P09917 1/20 0.53
IDO1 P14902 1/20 0.53
PTGS2 P35354 1/20 0.53
HTT P42858 1/20 0.53
MAPK8 P45983 1/20 0.53
NTRK2 Q16620 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MDM2 Q00987 1/20 0.53

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
SCHEMBL5251485 0.88 KMT2A (0.72) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL5254527 0.86 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL5248590 0.84 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL5253405 0.83 KMT2A (0.65) KMT2AMEN1ALDH1A1RAB9ATDO2
SCHEMBL4061235 0.83 MEN1 (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL7770196 0.79 ALDH1A1 (0.86) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL14571461 0.79 KMT2A (0.60) KMT2AMEN1ALDH1A1RAB9ATDO2
SCHEMBL2631381 0.79 MAPK1 (0.74) ALDH1A1SMN1; SMN2NPSR1RAB9ALMNA
SCHEMBL5248270 0.78 KDM4E (0.65) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL22736778 0.77 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696927-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2007-10-31 EP claimed
US-20070060601-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2007-03-15 US claimed
EP-1696927-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2006-09-06 EP claimed
WO-2005065183-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2005-07-21 WO claimed
EP-1696927-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2007-10-31 EP disclosed
US-20070060601-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2007-03-15 US disclosed
US-20070060601-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2007-03-15 US disclosed
US-20070060601-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2007-03-15 US disclosed
EP-1696927-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2006-09-06 EP disclosed
WO-2005065183-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2005-07-21 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-20070060601-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B KMT2A 390/4885MEN1 2229/4885ALDH1A1 2586/4885

“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.