SCHEMBL4870340

SCHEMBL4870340

c1ccc(Sc2nnc3ccccn23)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
ALDH1A1 P00352 5/20 0.53
NPC1 O15118 4/20 0.53
HPGD P15428 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 7/20 0.49
LMNA P02545 3/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL1579458 0.86 LMNA (0.47) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL2539437 0.80 ALDH1A1 (0.56) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL11115568 0.77 RAB9A (0.51) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL903215 0.77 LMNA (0.54) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL20377073 0.75 MET (0.58) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL251663 0.74 LMNA (0.45) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL12125640 0.73 LMNA (0.66) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL10575793 0.70 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL10571493 0.70 RAB9A (0.60) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL5818702 0.69 RAB9A (0.58) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD

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 RAB9A 3667/4885SMN1; SMN2 2194/4885ALDH1A1 3595/4885

“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.