SCHEMBL17273295

SCHEMBL17273295

Cc1ccc(S(=O)(=O)n2cc(-c3cnn(CCc4ccccc4)c3)c3cc(-c4cccc(CC5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 7/20 0.42
▸ LMNA P02545 6/20 0.42
▸ MAPT P10636 4/20 0.42
▸ THRB P10828 1/20 0.42
▸ GPR119 Q8TDV5 2/20 0.41
▸ PTPN11 Q06124 1/20 0.39
▸ HTR6 P50406 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ YAP1 P46937 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ TGFBR1 P36897 2/20 0.36
▸ IRAK1 P51617 1/20 0.36
▸ BRD4 O60885 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
SCHEMBL17273389 0.91 PTPN11 (0.38) TP53LMNAMAPTTHRBGPR119
SCHEMBL17273344 0.90 PTPN11 (0.38) TP53LMNAMAPTTHRBGPR119
SCHEMBL15557307 0.90 GPR119 (0.43) TP53LMNAMAPTTHRBGPR119
SCHEMBL15562340 0.89 MET (0.43) TP53LMNAMAPTTHRBGPR119
SCHEMBL17273503 0.89 PTPN11 (0.43) TP53LMNAMAPTTHRBGPR119
SCHEMBL17273324 0.89 GPR119 (0.40) TP53LMNAMAPTTHRBGPR119
SCHEMBL17273413 0.88 RET (0.45) LMNAGPR119PTPN11
SCHEMBL17273291 0.87 ALK (0.45) TP53LMNAMAPTTHRBGPR119
SCHEMBL15599448 0.84 GPR119 (0.42) TP53LMNAMAPTTHRBGPR119
SCHEMBL15557674 0.83 HTR6 (0.47) GPR119PTPN11HTR6

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 TP53 860/4885LMNA 3498/4885MAPT 1627/4885

“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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