SCHEMBL16428875

SCHEMBL16428875

CCOC(=O)CC(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.66
RAB9A P51151 4/20 0.60
POLB P06746 4/20 0.60
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60
HDAC1 Q13547 4/20 0.58
HDAC2 Q92769 4/20 0.58
HDAC3 O15379 3/20 0.58
HDAC4 P56524 3/20 0.58
HDAC7 Q8WUI4 3/20 0.58
HDAC10 Q969S8 3/20 0.58
HDAC11 Q96DB2 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC9 Q9UKV0 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 1/20 0.57

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
SCHEMBL14461305 0.85 HDAC1 (0.72) NOTUMRAB9APOLBLMNATSHR
SCHEMBL4938762 0.84 RAB9A (0.68) NOTUMRAB9APOLBLMNATSHR
SCHEMBL4929814 0.81 HDAC1 (0.71) NOTUMRAB9APOLBLMNATSHR
SCHEMBL16428961 0.80 RAB9A (0.57) NOTUMRAB9APOLBLMNATSHR
SCHEMBL5404742 0.80 MEN1 (0.66) RAB9APOLBLMNATSHRHDAC1
SCHEMBL9670295 0.79 RAB9A (0.62) NOTUMRAB9APOLBLMNATSHR
SCHEMBL5158122 0.79 MGAM (0.54) NOTUMRAB9APOLBLMNATSHR
SCHEMBL20509078 0.79 HDAC1 (0.76) NOTUMRAB9APOLBLMNATSHR
Propionic Acid SCHEMBL9670302 0.79 HDAC1 (0.64) NOTUMRAB9APOLBLMNATSHR
SCHEMBL15724555 0.79 MEN1 (0.60) RAB9APOLBLMNATSHRNPC1

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-2840081-A1 USE OF A NOVEL AMINOPYRIDINE DERIVATIVE TO PREVENT OR TREAT CANCER Medicinal Bioconvergence Research Center (KR) 2015-02-25 EP claimed
US-20150038531-A1 USE OF A NOVEL AMINOPYRIDINE DERIVATIVE TO PREVENT OR TREAT CANCER MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2015-02-05 US claimed
US-9206132-B2 Use of a novel aminopyridine derivative to prevent or treat cancer MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2015-12-08 US disclosed
US-9206132-B2 Use of a novel aminopyridine derivative to prevent or treat cancer MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2015-12-08 US disclosed
US-9206132-B2 Use of a novel aminopyridine derivative to prevent or treat cancer MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2015-12-08 US disclosed
EP-2840081-A1 USE OF A NOVEL AMINOPYRIDINE DERIVATIVE TO PREVENT OR TREAT CANCER Medicinal Bioconvergence Research Center (KR) 2015-02-25 EP disclosed
CN-104379565-A Novel aminopyridine derivatives for preventing or treating cancer MEDICINAL BIOCONVERGENCE RES CT 2015-02-25 CN disclosed
US-20150038531-A1 USE OF A NOVEL AMINOPYRIDINE DERIVATIVE TO PREVENT OR TREAT CANCER MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2015-02-05 US disclosed
US-20150038531-A1 USE OF A NOVEL AMINOPYRIDINE DERIVATIVE TO PREVENT OR TREAT CANCER MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2015-02-05 US disclosed
US-20150038531-A1 USE OF A NOVEL AMINOPYRIDINE DERIVATIVE TO PREVENT OR TREAT CANCER MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2015-02-05 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-20150038531-A1 USE OF A NOVEL AMINOPYRIDINE DERIVATIVE TO PREVENT OR TREAT CANCER DPYD, BRCA1, CYC1 NOTUM 3701/4885RAB9A 2499/4885POLB 1527/4885

“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.