SCHEMBL15599446

SCHEMBL15599446

Cc1ccc(S(=O)(=O)n2cc(I)c3cc(-c4ccc(C5=CCN(C(=O)OC(C)(C)C)CC5)nc4)cnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.47
▸ WNT3A P56704 1/20 0.45
▸ KIT P10721 1/20 0.44
▸ GRM1 Q13255 10/20 0.41
▸ GRM5 P41594 9/20 0.41
▸ ATR Q13535 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ CYP11B2 P19099 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ PDE4B Q07343 1/20 0.37
▸ PDK4 Q16654 1/20 0.37

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
SCHEMBL15555500 0.94 HTR6 (0.49) HTR6WNT3AKITGRM1GRM5
SCHEMBL15599329 0.88 HTR6 (0.48) HTR6KITGRM1GRM5ATR
SCHEMBL17273341 0.83 GPR119 (0.46) WNT3AGPR119BRD4PTPN11
SCHEMBL15599456 0.82 GPR119 (0.46) WNT3AGPR119BRD4PTPN11
SCHEMBL15556363 0.82 MEN1 (0.49) WNT3AGPR119BRD4PTPN11
SCHEMBL15557373 0.81 MMP13 (0.44) WNT3AGPR119BRD4PTPN11
SCHEMBL15599327 0.80 GPR119 (0.41) GPR119BRD4PTPN11
SCHEMBL15556171 0.79 SMPD3 (0.43) GPR119BRD4PTPN11
SCHEMBL15556265 0.79 PIK3CA (0.45) WNT3AKITGPR119BRD4PTPN11
SCHEMBL15599333 0.79 BRD4 (0.41) KITGPR119BRD4PTPN11

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-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-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
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
WO-2014006554-A1 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-01-09 — — 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-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K6 HTR6 2490/4885WNT3A 1942/4885KIT 612/4885

“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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