SCHEMBL16782998

SCHEMBL16782998

Cc1cc(OCc2ccccc2)ncc1-c1cc(C(=O)Cl)nn1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.42
▸ PPARG P37231 1/20 0.40
▸ FFAR1 O14842 4/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ P4HTM Q9NXG6 1/20 0.38
▸ PLA2G10 O15496 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ GLRA1 P23415 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALKBH1 Q13686 2/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ BAK1 Q16611 1/20 0.35

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
SCHEMBL16804953 0.91 MDM2 (0.46) PKMPPARGFFAR1MEN1KMT2A
SCHEMBL16804951 0.88 PKM (0.41) PKMPPARGFFAR1MEN1KMT2A
SCHEMBL16804969 0.84 PTGER1 (0.51) PPARGMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL16804978 0.83 PTGER1 (0.44) PKMPPARGMEN1KMT2ASMN1; SMN2
SCHEMBL16805008 0.73 NOTUM (0.43) PKMPPARGMDM2SMN1; SMN2NPC1
SCHEMBL16804999 0.72 MMP2 (0.45) PLA2G10SMN1; SMN2NPC1RAB9A
SCHEMBL26003749 0.71 PTGER1 (0.51) MDM2MCL1
SCHEMBL16783005 0.71 NPC1 (0.42) PKMMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL16783036 0.71 NPC1 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16805006 0.70 PTGER1 (0.51) PPARGMEN1KMT2AMDM2SMN1; SMN2

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 4 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
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 PKM 1047/4885PPARG 29/4885FFAR1 1407/4885

“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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