SCHEMBL2661697

SCHEMBL2661697

Nc1n[nH]c2ccc(-c3ccccc3Cl)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 1.00
▸ JAK1 P23458 4/20 1.00
▸ JAK3 P52333 2/20 1.00
▸ TYK2 P29597 1/20 1.00
▸ PAK1 Q13153 2/20 0.62
▸ TRPA1 O75762 1/20 0.54
▸ PDPK1 O15530 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ CDC7 O00311 1/20 0.48
▸ AURKA O14965 1/20 0.48
▸ CHUK O15111 1/20 0.48
▸ MAPK13 O15264 1/20 0.48
▸ DAPK3 O43293 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ CHEK2 O96017 1/20 0.48
▸ PRKCG P05129 1/20 0.48
▸ CDK1 P06493 1/20 0.48
▸ FGFR1 P11362 1/20 0.48

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
SCHEMBL6478211 0.88 JAK2 (0.78) JAK2JAK1JAK3TYK2PAK1
SCHEMBL12907170 0.81 JAK2 (0.68) JAK2JAK1JAK3TYK2TRPA1
SCHEMBL12907219 0.81 JAK2 (0.68) JAK2JAK1JAK3TYK2PAK1
SCHEMBL2661720 0.81 JAK2 (0.68) JAK2JAK1JAK3TYK2PAK1
SCHEMBL26394420 0.80 JAK2 (0.66) JAK2JAK1JAK3TYK2PAK1
SCHEMBL10213929 0.79 JAK2 (0.81) JAK2JAK1JAK3TYK2PDPK1
SCHEMBL12907246 0.78 JAK2 (1.00) JAK2JAK1JAK3TYK2PDPK1
SCHEMBL3359889 0.78 JAK2 (1.00) JAK2JAK1JAK3TYK2PDPK1
SCHEMBL12907178 0.78 JAK2 (0.63) JAK2JAK1JAK3TYK2PAK1
SCHEMBL12907244 0.78 JAK2 (0.63) JAK2JAK1JAK3TYK2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 — — US disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 — — US disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 — — US disclosed
EP-2157859-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE Takeda Pharmaceutical Company Limited (JP) 2010-03-03 — — EP disclosed
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 — — WO disclosed
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 — — 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-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE GCKR, GCK, KHK JAK2 655/4885JAK1 1407/4885JAK3 781/4885

“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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