SCHEMBL17888232

SCHEMBL17888232

CC1=CCN(C(=O)CCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NAMPT P43490 7/20 0.38
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
NOTUM Q6P988 1/20 0.34
HRH1 P35367 1/20 0.34
SMO Q99835 1/20 0.33
HPGD P15428 2/20 0.33
CNR1 P21554 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL17888228 0.86 NAMPT (0.49) MEN1KMT2ANAMPTHRH1
SCHEMBL2606198 0.86 MEN1 (0.40) MEN1KMT2ANAMPTNOTUMCNR1
SCHEMBL17888236 0.85 KDM4E (0.44) MEN1KMT2ANAMPTHPGDTSHR
SCHEMBL17888227 0.83 L3MBTL1 (0.46) MEN1KMT2ANAMPTHDAC3HDAC1
SCHEMBL7914538 0.82 BLM (0.41) MEN1KMT2ANAMPTTSHRALDH1A1
SCHEMBL17888240 0.82 MEN1 (0.41) MEN1KMT2ANAMPTHDAC3HDAC1
SCHEMBL16255739 0.82 MEN1 (0.41) MEN1KMT2ANAMPTHDAC3HDAC1
SCHEMBL12049773 0.81 NAMPT (0.50) MEN1KMT2ANAMPTNOTUMTSHR
SCHEMBL17888251 0.81 MEN1 (0.40) MEN1KMT2ANAMPTHDAC3HDAC1
SCHEMBL17888217 0.81 JAK1 (0.48) MEN1KMT2AALDH1A1

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 MEN1 2118/4885KMT2A 1797/4885NAMPT 1885/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 MEN1 2118/4885KMT2A 1797/4885NAMPT 1885/4885

“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.