SCHEMBL4867579

SCHEMBL4867579

O=C(C(=O)c1cccc(Br)n1)c1ccc2ncccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.52
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
PLK1 P53350 1/20 0.51
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
POLB P06746 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
SIRT1 Q96EB6 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
SCHEMBL4876970 0.84 ALOX15 (0.55) DOT1LALOX15HTTPLK1NPC1
SCHEMBL4878996 0.83 ALOX15 (0.58) DOT1LALOX15HTTPLK1NPC1
SCHEMBL27856105 0.74 DOT1L (0.73) DOT1LALOX15HTTPLK1NPC1
SCHEMBL323178 0.73 HTT (0.66) DOT1LALOX15HTTPLK1NPC1
SCHEMBL29489054 0.73 HTT (0.66) DOT1LALOX15HTTPLK1NPC1
SCHEMBL21834527 0.73 DOT1L (0.62) DOT1LALOX15HTTPLK1NPC1
SCHEMBL25822612 0.72 CES1 (0.50) ALOX15HTTNPC1RAB9ACASP3
SCHEMBL2492569 0.71 ALOX15 (0.73) DOT1LALOX15HTTPLK1NPC1
SCHEMBL24021437 0.71 HTT (0.64) DOT1LALOX15HTTPLK1NPC1
SCHEMBL21169603 0.71 DOT1L (0.65) DOT1LALOX15HTTPLK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130245066-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2013-09-19 US disclosed
US-20130245066-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2013-09-19 US disclosed
US-20130245066-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2013-09-19 US disclosed
US-20080319012-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2008-12-25 US disclosed
US-20080319012-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2008-12-25 US disclosed
US-20080319012-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2008-12-25 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 (2 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-20130245066-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors ALK, ERBB4, ACVR1 DOT1L 350/4885ALOX15 3210/4885HTT 4126/4885
US-20080319012-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors ALK, ERBB4, ACVR1 DOT1L 350/4885ALOX15 3210/4885HTT 4126/4885

“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.