SCHEMBL18280288

SCHEMBL18280288

COc1ccc(Nc2nc(C)c(O)c(C)c2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.57
MAPT P10636 6/20 0.54
GAA P10253 4/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 2/20 0.48
MAPK1 P28482 2/20 0.48
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NR4A1 P22736 1/20 0.46
AURKA O14965 2/20 0.46
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SYK P43405 1/20 0.44
MEN1 O00255 3/20 0.44

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
SCHEMBL18280283 0.83 TNF (0.63) TNFMAPTGAARAB9AL3MBTL1
SCHEMBL19126990 0.81 MAPT (0.56) MAPTGAARAB9AKDM4ENPC1
SCHEMBL19127810 0.81 SMN1; SMN2 (0.60) MAPTRAB9AKDM4ENPC1MEN1
SCHEMBL18280281 0.81 TNF (0.68) TNFMAPTGAARAB9ANPC1
SCHEMBL15055239 0.81 TNF (0.60) TNFMAPTGAARAB9AKDM4E
SCHEMBL18280291 0.81 TNF (0.64) TNFMAPTRAB9AKDM4EL3MBTL1
SCHEMBL15055192 0.80 TNF (0.62) TNFMAPTGAARAB9ANPC1
Bromide SCHEMBL15055004 0.79 TNF (0.61) TNFMAPTGAARAB9ANPC1
SCHEMBL18280290 0.78 TNF (0.57) TNFKDR
SCHEMBL21439778 0.77 TNF (0.73) TNFMAPTRAB9AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9889139-B2 Method of treating inflammatory bowel disease comprising administering a pharmaceutical composition comprising a 6-aminopyridin-3-ol compound or a pharmaceutically acceptable salt thereof as an active ingredient to a subject RESEARCH COOPERATION FOUNDATION OF YEUNGNAM UNIVERSITY (KR) 2018-02-13 US claimed
US-20160354352-A1 METHOD OF TREATING INFLAMMATORY BOWEL DISEASE COMPRISING ADMINISTERING A PHARMACEUTICAL COMPOSITION COMPRISING A 6-AMINOPYRIDIN-3-OL COMPOUND OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AS AN ACTIVE INGREDIENT TO A SUBJECT RESEARCH COOPERATION FOUNDATION OF YEUNGNAM UNIVERSITY (KR) 2016-12-08 US claimed
US-9889139-B2 Method of treating inflammatory bowel disease comprising administering a pharmaceutical composition comprising a 6-aminopyridin-3-ol compound or a pharmaceutically acceptable salt thereof as an active ingredient to a subject RESEARCH COOPERATION FOUNDATION OF YEUNGNAM UNIVERSITY (KR) 2018-02-13 US disclosed
US-9889139-B2 Method of treating inflammatory bowel disease comprising administering a pharmaceutical composition comprising a 6-aminopyridin-3-ol compound or a pharmaceutically acceptable salt thereof as an active ingredient to a subject RESEARCH COOPERATION FOUNDATION OF YEUNGNAM UNIVERSITY (KR) 2018-02-13 US disclosed
US-9889139-B2 Method of treating inflammatory bowel disease comprising administering a pharmaceutical composition comprising a 6-aminopyridin-3-ol compound or a pharmaceutically acceptable salt thereof as an active ingredient to a subject RESEARCH COOPERATION FOUNDATION OF YEUNGNAM UNIVERSITY (KR) 2018-02-13 US disclosed
US-20160354352-A1 METHOD OF TREATING INFLAMMATORY BOWEL DISEASE COMPRISING ADMINISTERING A PHARMACEUTICAL COMPOSITION COMPRISING A 6-AMINOPYRIDIN-3-OL COMPOUND OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AS AN ACTIVE INGREDIENT TO A SUBJECT RESEARCH COOPERATION FOUNDATION OF YEUNGNAM UNIVERSITY (KR) 2016-12-08 US disclosed
US-20160354352-A1 METHOD OF TREATING INFLAMMATORY BOWEL DISEASE COMPRISING ADMINISTERING A PHARMACEUTICAL COMPOSITION COMPRISING A 6-AMINOPYRIDIN-3-OL COMPOUND OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AS AN ACTIVE INGREDIENT TO A SUBJECT RESEARCH COOPERATION FOUNDATION OF YEUNGNAM UNIVERSITY (KR) 2016-12-08 US disclosed
US-20160354352-A1 METHOD OF TREATING INFLAMMATORY BOWEL DISEASE COMPRISING ADMINISTERING A PHARMACEUTICAL COMPOSITION COMPRISING A 6-AMINOPYRIDIN-3-OL COMPOUND OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AS AN ACTIVE INGREDIENT TO A SUBJECT RESEARCH COOPERATION FOUNDATION OF YEUNGNAM UNIVERSITY (KR) 2016-12-08 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-20160354352-A1 METHOD OF TREATING INFLAMMATORY BOWEL DISEASE COMPRISING ADMINISTERING A PHARMACEUTICAL COMPOSITION COMPRISING A 6-AMINOPYRIDIN-3-OL COMPOUND OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AS AN ACTIVE INGREDIENT TO A SUBJECT SI, SLC10A2, ALPI TNF 100/4885MAPT 1697/4885GAA 2767/4885

“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.