SCHEMBL16783015

SCHEMBL16783015

CCOc1cc(OC)c(-c2cc(C(=O)O)nn2C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 3/20 0.39
▸ BCL2 P10415 2/20 0.39
▸ MCL1 Q07820 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ EIF4EBP1 Q13541 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ GAA P10253 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ APOBEC3A P31941 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RPA1 P27694 1/20 0.34
▸ MARS1 P56192 1/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PLA2G10 O15496 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL16783081 0.93 MDM2 (0.43) MDM2BCL2MCL1MAPTTSHR
SCHEMBL16783070 0.89 MMP2 (0.42) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL16804989 0.88 MMP2 (0.41) MAPTALDH1A1MEN1KMT2A
SCHEMBL16782951 0.83 MMP2 (0.43) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL16804975 0.82 MMP2 (0.42) MAPTALDH1A1MEN1KMT2A
SCHEMBL16783092 0.81 NPC1 (0.39) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL16782970 0.80 PDE4D (0.46) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL16808957 0.79 MMP2 (0.38) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL16804988 0.78 MMP2 (0.39) TSHRKDM4EMEN1KMT2APLA2G10
SCHEMBL16805008 0.78 NOTUM (0.43) MDM2KDM4EPPARG

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
WO-2015090579-A1 PYRAZOLYL-BASED CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 — — WO disclosed
WO-2015090579-A1 PYRAZOLYL-BASED CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 — — WO disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — 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-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES AADAC, NLRP3, NOD2 MDM2 2727/4885BCL2 2946/4885MCL1 2232/4885

“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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