SCHEMBL4876970

SCHEMBL4876970

Cc1cccc(C(=O)C(=O)c2ccc3ncccc3c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.55
HTT P42858 1/20 0.55
PLK1 P53350 1/20 0.55
DOT1L Q8TEK3 1/20 0.52
NPC1 O15118 5/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
AR P10275 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
BCAT1 P54687 1/20 0.43
RAPGEF3 O95398 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42

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
SCHEMBL6759925 0.86 ALOX15 (0.49) ALOX15HTTPLK1DOT1LNPC1
SCHEMBL6759928 0.86 ALOX15 (0.49) ALOX15HTTPLK1DOT1LNPC1
SCHEMBL4858870 0.86 NPC1 (0.60) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4867579 0.84 DOT1L (0.52) ALOX15HTTPLK1DOT1LNPC1
SCHEMBL4878996 0.83 ALOX15 (0.58) ALOX15HTTPLK1DOT1LNPC1
SCHEMBL23389992 0.81 P2RX7 (0.38) ALOX15HTTPLK1NPC1
SCHEMBL29796592 0.81 P2RX7 (0.38) ALOX15HTTPLK1NPC1
SCHEMBL6181864 0.77 MAPT (0.48) HTTNPC1RAB9APOLBALDH1A1
SCHEMBL4030946 0.76 HDAC3 (0.49) ALOX15HTTPLK1DOT1LNPC1
SCHEMBL2237588 0.75 P2RX7 (0.62) ALOX15NPC1RAB9APOLBALDH1A1

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 ALOX15 3210/4885HTT 4126/4885PLK1 2308/4885
US-20080319012-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors ALK, ERBB4, ACVR1 ALOX15 3210/4885HTT 4126/4885PLK1 2308/4885

“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.