SCHEMBL20788678

SCHEMBL20788678

Cc1c(C(=O)N(C)c2ccnnc2)cnn1C(C)C(C)C1(C#N)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL16973305 0.90 KMT2A (0.36) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL20788688 0.88 OXTR (0.37) —
SCHEMBL16973433 0.82 KMT2A (0.40) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL20788679 0.82 KMT2A (0.35) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16973435 0.80 KMT2A (0.38) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16973453 0.80 KMT2A (0.41) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL20210961 0.79 OXTR (0.31) —
SCHEMBL29284677 0.79 KMT2A (0.37) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL30842988 0.78 KMT2A (0.35) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL15474207 0.78 OXTR (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190077809-A1 Spirocyclic Derivatives BASF SE (DE) 2019-03-14 — — 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-20190077809-A1 Spirocyclic Derivatives KEAP1, SAV1, HSP90AA1 KMT2A 4242/4885MEN1 3596/4885NPC1 350/4885

“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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