SCHEMBL19002882

SCHEMBL19002882

O=[N+](OO)c1ccc(Nc2nc(N/N=C/c3cccc(F)c3)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 13/20 0.70
▸ MAPT P10636 12/20 0.70
▸ MEN1 O00255 11/20 0.70
▸ LMNA P02545 9/20 0.70
▸ HTT P42858 8/20 0.70
▸ ALDH1A1 P00352 4/20 0.70
▸ TDP1 Q9NUW8 3/20 0.70
▸ GAA P10253 3/20 0.56
▸ RECQL P46063 2/20 0.56
▸ TEX264 Q9Y6I9 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ AKR1C3 P42330 1/20 0.52
▸ AKR1C1 Q04828 1/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ PKM P14618 1/20 0.49

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
SCHEMBL13942699 0.79 KMT2A (0.77) KMT2AMAPTMEN1LMNAHTT
SCHEMBL13576487 0.78 LMNA (0.81) KMT2AMAPTMEN1LMNAHTT
SCHEMBL1659816 0.77 MAPT (0.62) KMT2AMAPTMEN1LMNAHTT
SCHEMBL1659812 0.77 MAPT (0.62) KMT2AMAPTMEN1LMNAHTT
SCHEMBL13944051 0.77 LMNA (0.70) KMT2AMAPTMEN1LMNAHTT
SCHEMBL22737807 0.76 MAPT (0.68) KMT2AMAPTMEN1LMNAHTT
SCHEMBL1660591 0.75 LMNA (0.68) KMT2AMAPTMEN1LMNAHTT
SCHEMBL1660585 0.75 LMNA (0.68) KMT2AMAPTMEN1LMNAHTT
SCHEMBL3813156 0.75 MAPT (0.66) KMT2AMAPTMEN1LMNAHTT
SCHEMBL8909400 0.74 MAPT (0.57) KMT2AMAPTMEN1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10668076-B1 Compositions and methods of targeting mutant K-Ras NANTBIO, INC. (US) 2020-06-02 — — US disclosed
US-9687491-B1 Compositions and methods of targeting mutant K-Ras NANTBIOSCIENCE, INC. (US) 2017-06-27 — — 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-10668076-B1 Compositions and methods of targeting mutant K-Ras KRAS, NRAS, HRAS KMT2A 2629/4885MAPT 3827/4885MEN1 973/4885

“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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