SCHEMBL4866580

SCHEMBL4866580

c1ccc(Cc2nnc3ccccn23)cc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.79
ALDH1A1 P00352 5/20 0.79
MET P08581 2/20 0.50
MAPK14 Q16539 1/20 0.47
RAB9A P51151 3/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSD17B10 Q99714 2/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HTR5A P47898 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL5373208 0.77 KDM4E (0.71) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL5359262 0.77 KDM4E (0.71) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL14759162 0.77 KDM4E (0.71) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL8350565 0.77 KDM4E (0.71) KDM4EALDH1A1MAPK14RAB9AHPGD
SCHEMBL12797503 0.76 KDM4E (0.70) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL19182675 0.76 MET (0.59) KDM4EALDH1A1METMAPK14RAB9A
SCHEMBL19292935 0.76 ALDH1A1 (0.54) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL14759243 0.76 KDM4E (0.69) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL7980785 0.75 KDM4E (0.62) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL24273206 0.74 KDM4E (0.67) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7321040-B2 Triazolo-pyridines as anti-inflammatory compounds PFIZER INC. (US) 2008-01-22 US disclosed
EP-1601672-B1 TRIAZOLO-PYRIDINES AS ANTI-INFLAMMATORY COMPOUNDS PFIZER PROD INC (US) 2006-07-26 EP disclosed
EP-1601672-A1 TRIAZOLO-PYRIDINES AS ANTI-INFLAMMATORY COMPOUNDS Pfizer Products Inc. (US) 2005-12-07 EP disclosed
US-20050075365-A1 Novel triazolo-pyridines as anti-inflammatory compounds PFIZER, INC. (US) 2005-04-07 US disclosed
WO-2004072072-A1 TRIAZOLO-PYRIDINES AS ANTI-INFLAMMATORY COMPOUNDS PFIZER PRODUCTS INC. (US) 2004-08-26 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-20050075365-A1 Novel triazolo-pyridines as anti-inflammatory compounds MAPK6, IL6, GRK6 KDM4E 4323/4885ALDH1A1 3595/4885MET 1127/4885

“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.