SCHEMBL20111996

SCHEMBL20111996

COC(=O)c1cnc2c(c1)c(Br)cn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP2C9 P11712 4/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TCF4 P15884 1/20 0.39
CTNNB1 P35222 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
FBP1 P09467 1/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL29606177 1.00 PTPN11 (0.43) PTPN11CA1CA2CYP2C9POLB
SCHEMBL14687940 0.90 MEN1 (0.47) POLBALDH1A1FBP1GAATSHR
SCHEMBL26176374 0.88 PTPN11 (0.45) PTPN11CA1CA2CYP2C9POLB
SCHEMBL29604805 0.83 PTPN11 (0.43) PTPN11CYP2C9POLBALDH1A1CYP1A2
SCHEMBL29605488 0.82 CA1 (0.49) PTPN11CA1CA2POLBENPP3
SCHEMBL3500448 0.82 CA1 (0.49) PTPN11CA1CA2POLBENPP3
SCHEMBL5427469 0.81 MEN1 (0.49) CA1CA2CYP2C9TCF4CTNNB1
SCHEMBL20292837 0.80 ALDH1A1 (0.45) PTPN11CA1CA2POLBALDH1A1
SCHEMBL26969405 0.80 PTPN11 (0.41) PTPN11CYP2C9POLBALDH1A1CYP1A2
SCHEMBL29604965 0.80 PTPN11 (0.41) PTPN11CYP2C9POLBALDH1A1CYP1A2

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-20230192686-A1 1H-PYRROLO[2,3-B]PYRIDINES AND PREPARATION AND USES THEREOF TENARX, INC. 2023-06-22 US disclosed
US-20230192686-A1 1H-PYRROLO[2,3-B]PYRIDINES AND PREPARATION AND USES THEREOF TENARX, INC. 2023-06-22 US disclosed
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 US disclosed
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2020-02-20 US disclosed
WO-2019043372-A1 SUBSTITUTES SULFONYL AZACYCLES AS MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2019-03-07 WO disclosed
WO-2018078360-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2018-05-03 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 (3 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-10961238-B2 Modulators of hedgehog (Hh) signaling pathway SHH, GLI1, SMO PTPN11 1279/4885CA1 3738/4885CA2 3999/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO PTPN11 1286/4885CA1 3583/4885CA2 3934/4885
US-20230192686-A1 1H-PYRROLO[2,3-B]PYRIDINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK1B, DYRK2 PTPN11 634/4885CA1 3711/4885CA2 3650/4885

“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.