SCHEMBL16783084

SCHEMBL16783084

COc1cc(C#N)c(-c2cc(C(=O)Nc3c(F)cccc3F)nn2C)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ PDE4D Q08499 3/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ EED O75530 1/20 0.37
▸ RBBP4 Q09028 1/20 0.37
▸ SUZ12 Q15022 1/20 0.37
▸ EZH2 Q15910 1/20 0.37
▸ AEBP2 Q6ZN18 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
SCHEMBL16782966 0.88 PDE4D (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16783049 0.87 NPC1 (0.42) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16783025 0.87 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16783082 0.87 PDE4D (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16783099 0.85 NPC1 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16783080 0.84 PDE4D (0.40) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16783018 0.83 NPC1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16783040 0.80 EGLN2 (0.43) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL16782970 0.80 PDE4D (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16804984 0.79 PDE4D (0.46) ALDH1A1MAPTMEN1KMT2ALMNA

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 ALDH1A1 2894/4885MAPT 3201/4885MEN1 3897/4885

“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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