SCHEMBL5799482

SCHEMBL5799482

c1ccc(-c2cc3[nH]nnc3nc2-c2ncco2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
LTA4H P09960 1/20 0.36
HPGD P15428 2/20 0.34
ADORA2A P29274 3/20 0.33
ADORA1 P30542 3/20 0.33
ADORA2B P29275 1/20 0.33
PIN1 Q13526 1/20 0.33
CHEK1 O14757 1/20 0.32
GSK3B P49841 1/20 0.32
IMPDH2 P12268 1/20 0.31
NTRK1 P04629 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31

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
SCHEMBL27583826 0.76 NISCH (0.46) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5796207 0.75 PDPK1 (0.45) HPGDADORA2AADORA1ADORA2BADORA3
SCHEMBL27601343 0.73 ADORA2A (0.40) ADORA2AADORA1CHEK1GSK3BADORA3
SCHEMBL5796400 0.72 GRM5 (0.36) HPGDADORA2AADORA1GSK3BPIM1
SCHEMBL6203915 0.72 HPGDS (0.41) HPGDSLTA4HHPGDPIN1CHEK1
SCHEMBL5799606 0.72 GRM5 (0.33) HPGDADORA2AADORA1GSK3BADORA3
SCHEMBL7100549 0.70 CCNC (0.32) HPGDSLTA4H
SCHEMBL5799789 0.68
SCHEMBL20819423 0.68 HPGDS (0.51) HPGDSLTA4HHPGDADORA2AADORA1
SCHEMBL9510279 0.66 HPGDS (0.58) HPGDSLTA4HHPGDPIN1IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370559-B1 TRIAZOLOPYRIDINES AS ANTI-INFLAMMATORY AGENTS PFIZER PROD INC (US) 2006-04-19 EP disclosed
CN-1496366-A Triazolopyridines as anti-inflammatory agents �Ʒ� 2004-05-12 CN disclosed
US-6696464-B2 POTENT INHIBITORS OF MAP KINASES, PREFERABLY P38 KINASE; USEFUL IN TREATMENT OF INFLAMMATION, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, CANCER, REPERFUSION OR ISCHEMIA IN STROKE OR HEART ATTACK PFIZER INC 2004-02-24 US disclosed
US-20030096838-A1 Novel triazolo-pyridines anti-inflammatory compounds PFIZER INC. 2003-05-22 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-20030096838-A1 Novel triazolo-pyridines anti-inflammatory compounds MAPK1, CNKSR1, JAK1 HPGDS 174/4885LTA4H 2381/4885HPGD 622/4885

“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.