SCHEMBL13746273

SCHEMBL13746273

Clc1ncccc1-c1cn(OOSc2ccccc2)c2ncc(-c3ccccc3)cc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.35
▸ CDC7 O00311 2/20 0.32
▸ MAOB P27338 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ CDK2 P24941 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ DHODH Q02127 1/20 0.30
▸ AXL P30530 1/20 0.30
▸ CDK8 P49336 1/20 0.30
▸ TNIK Q9UKE5 1/20 0.30
▸ PSMB5 P28074 1/20 0.30

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
SCHEMBL13745690 0.84 GSK3B (0.34) GSK3BALDH1A1AXLCDK8TNIK
SCHEMBL13745726 0.82 BRD4 (0.37) GSK3BKDR
SCHEMBL13746292 0.80 GSK3B (0.34) GSK3BCDC7CDK2AXLCDK8
SCHEMBL13745686 0.80 KDR (0.35) GSK3BKDRMAPTAXLCDK8
SCHEMBL13746071 0.80 PTGER1 (0.35) GSK3B
SCHEMBL13745703 0.79 KDR (0.38) GSK3BKDRAXLCDK8TNIK
SCHEMBL13745732 0.78 KDR (0.49) MAOBKDR
SCHEMBL13745724 0.74 GRM5 (0.40) MAOBKDR
SCHEMBL13746567 0.73 CAMKK2 (0.40) —
SCHEMBL13746285 0.73 KIT (0.34) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 — — US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 — — 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-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 GSK3B 227/4885CDC7 675/4885MAOB 2803/4885

“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.

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