SCHEMBL17888441

SCHEMBL17888441

Cc1ccc(C(=O)N2CCCC(CCN(C)C)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 1/20 0.49
▸ JAK1 P23458 2/20 0.48
▸ GRM3 Q14832 3/20 0.47
▸ PROKR1 Q8TCW9 5/20 0.47
▸ L3MBTL3 Q96JM7 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ POLB P06746 1/20 0.45

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
SCHEMBL10194852 0.87 KMT2A (0.51) KMT2AMEN1GRM3PROKR1L3MBTL3
SCHEMBL17886682 0.87 KMT2A (0.54) KMT2AMEN1GRM3ALDH1A1
SCHEMBL21214352 0.87 KMT2A (0.54) KMT2AMEN1JAK1GRM3L3MBTL3
SCHEMBL10194851 0.83 GRM3 (0.65) KMT2AMEN1GRM3PROKR1ALDH1A1
SCHEMBL10195711 0.80 KDM2B (0.53) KMT2AMEN1GRM3PROKR1ALDH1A1
SCHEMBL10194849 0.78 GRM3 (0.53) KMT2AMEN1GRM3PROKR1ALDH1A1
SCHEMBL17888330 0.76 KMT2A (0.56) KMT2AMEN1JAK1L3MBTL3ALDH1A1
SCHEMBL10195742 0.76 ALDH1A1 (0.54) KMT2AMEN1GRM3L3MBTL3ALDH1A1
SCHEMBL10194853 0.76 GRM3 (0.62) KMT2AMEN1GRM3PROKR1ALDH1A1
SCHEMBL3456176 0.76 RECQL (0.73) KMT2AMEN1PROKR1ALDH1A1PKM

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-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 — — US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 — — 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 KMT2A 1797/4885MEN1 2118/4885JAK1 3/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 KMT2A 1797/4885MEN1 2118/4885JAK1 3/4885

“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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