SCHEMBL6313738

SCHEMBL6313738

COc1ccc(-c2n[nH]nc2-c2cccc(Cl)c2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 1/20 0.49
PDE4B Q07343 6/20 0.48
PGK1 P00558 1/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDE4D Q08499 1/20 0.47
TP53 P04637 1/20 0.46
MAPK10 P53779 2/20 0.45
MAPK9 P45984 1/20 0.45
MAPK14 Q16539 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
KDR P35968 1/20 0.43
IDO1 P14902 2/20 0.42
CNR2 P34972 1/20 0.42
NOTUM Q6P988 1/20 0.41

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
SCHEMBL6315146 0.87 PDE4B (0.46) MAPTALDH1A1PDE4BPGK1NPC1
SCHEMBL6314174 0.86 ALDH1A1 (0.47) MAPTALDH1A1PDE4BNPC1SMN1; SMN2
SCHEMBL6314185 0.84 KMT2A (0.46) MAPTALDH1A1PDE4BTP53MAPK14
SCHEMBL6321377 0.83 TP53 (0.47) MAPTALDH1A1PDE4BPGK1SMN1; SMN2
SCHEMBL411466 0.80 TGFBR1 (0.43) MAPTALDH1A1NPC1MAPK14ADORA2A
SCHEMBL17141347 0.79 ALDH1A1 (0.50) MAPTALDH1A1PDE4BPDE4DMAPK10
SCHEMBL27614805 0.77 ALOX15 (0.65) NPC1TSHRSMN1; SMN2TP53MAPK14
SCHEMBL4028605 0.74 PDE4A (0.49) MAPTALDH1A1PDE4BPDE4DADORA2A
SCHEMBL27595204 0.74 PDE4B (0.60) MAPTPDE4BPGK1NPC1TSHR
SCHEMBL6622341 0.73 POLB (0.40) MAPTALDH1A1NPC1ADORA2AADORA1

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-20050014938-A1 Phenyl substituted triazoles and their use as selective inhibitors of akl5 kinase GASTER LARAMIE MARY (GB) 2005-01-20 US claimed
CN-1608065-A Phenyl substituted triazoles and their use as selective inhibors of akl5 kinase and pharmaceutical compositions containing the compounds SMITHKLINE BEECHAM CORP (US) 2005-04-20 CN disclosed
US-20050014938-A1 Phenyl substituted triazoles and their use as selective inhibitors of akl5 kinase GASTER LARAMIE MARY (GB) 2005-01-20 US disclosed
EP-1444232-A1 PHENYL SUBSTITUTED TRIAZOLES AND THEIR USE AS SELECTIVE INHIBORS OF AKL5 KINASE SMITHKLINE BEECHAM CORPORATION (US) 2004-08-11 EP disclosed
WO-2003042211-A1 PHENYL SUBSTITUTED TRIAZOLES AND THEIR USE AS SELECTIVE INHIBORS OF AKL5 KINASE SMITHKLINE BEECHAM CORPORATION (US) 2003-05-22 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-20050014938-A1 Phenyl substituted triazoles and their use as selective inhibitors of akl5 kinase AKR1C3, CBR3, PHKG1 MAPT 4591/4885ALDH1A1 2451/4885PDE4B 1020/4885

“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.