SCHEMBL17273489

SCHEMBL17273489

COc1cccc(Cn2cc(-c3cn(S(=O)(=O)c4ccc(C)cc4)c4ncc(-c5ccc(C6CCN(C(=O)OC(C)(C)C)CC6)cc5)cc34)cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ SLC2A1 P11166 1/20 0.39
▸ TGFBR1 P36897 1/20 0.38
▸ TP53 P04637 5/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ GPR119 Q8TDV5 3/20 0.38
▸ MAPT P10636 1/20 0.37
▸ ROCK2 O75116 2/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ RET P07949 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL17273417 0.94 PTPN11 (0.41) JAK2JAK3PTK2PTPN11TP53
SCHEMBL15556354 0.93 JAK2 (0.40) JAK2JAK3PTK2PTPN11TP53
SCHEMBL17273448 0.90 JAK2 (0.42) JAK2JAK3PTK2PTPN11TP53
SCHEMBL17273432 0.90 PTPN11 (0.42) JAK2JAK3PTK2PTPN11TP53
SCHEMBL17273503 0.88 PTPN11 (0.43) JAK2JAK3PTK2PTPN11TP53
SCHEMBL17273392 0.87 PTPN11 (0.41) JAK2JAK3PTK2PTPN11TP53
SCHEMBL17273484 0.87 PTPN11 (0.37) JAK2JAK3PTK2PTPN11TGFBR1
SCHEMBL15555940 0.86 PTPN11 (0.39) PTPN11TP53GPR119MAPT
SCHEMBL15557440 0.86 GPR119 (0.41) JAK2JAK3PTK2PTPN11TP53
SCHEMBL17273514 0.84 CCNT1 (0.42) JAK2JAK3PTK2PTPN11TP53

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-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 — — US disclosed
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-11-26 — — 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-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K6 JAK2 86/4885JAK3 77/4885PTK2 309/4885

“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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