SCHEMBL19768896

SCHEMBL19768896

C#CC(C)n1ncc(C(=O)N(C)c2ccnnc2)c1C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL16973453 0.87 KMT2A (0.41) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16973433 0.85 KMT2A (0.40) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16973435 0.83 KMT2A (0.38) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16973298 0.82 KMT2A (0.38) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL29284677 0.81 KMT2A (0.37) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL13732345 0.81 KMT2A (0.38) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16973305 0.79 KMT2A (0.36) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL20788678 0.77 KMT2A (0.35) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL20788679 0.77 KMT2A (0.35) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL30842988 0.77 KMT2A (0.35) KMT2AMEN1NPC1RAB9AL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556844-B2 Pyrazole compounds as nitrification inhibitors BASF SE (DE) 2020-02-11 — — US disclosed
US-20180016199-A1 PYRAZOLE COMPOUNDS AS NITRIFICATION INHIBITORS BASF SCHWEIZ AG (CH) 2018-01-18 — — US disclosed
US-20180016199-A1 PYRAZOLE COMPOUNDS AS NITRIFICATION INHIBITORS BASF SCHWEIZ AG (CH) 2018-01-18 — — 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 (2 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-20180016199-A1 PYRAZOLE COMPOUNDS AS NITRIFICATION INHIBITORS NOS3, NOS2, NOS1 KMT2A 3738/4885MEN1 4385/4885NPC1 1794/4885
US-10556844-B2 Pyrazole compounds as nitrification inhibitors NOS3, NOS2, NOS1 KMT2A 3738/4885MEN1 4385/4885NPC1 1794/4885

“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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