SCHEMBL16664161

SCHEMBL16664161

CCCN(CCO)c1cnc(C)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.44
MKNK1 Q9BUB5 1/20 0.36
AR P10275 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
AOC3 Q16853 1/20 0.35
POLB P06746 2/20 0.34
CRHR1 P34998 5/20 0.34
TACR1 P25103 1/20 0.34
TACR3 P29371 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
EGFR P00533 1/20 0.32
HTT P42858 1/20 0.31
SLC29A1 Q99808 1/20 0.31

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
SCHEMBL21780689 0.91 HCAR3 (0.46) HCAR3ARAOC3CRHR1DRD2
SCHEMBL16646632 0.83 HCAR3 (0.44) HCAR3MKNK1ARALDH1A1LMNA
SCHEMBL9924584 0.75 GBA1 (0.48) ALDH1A1LMNAAOC3CRHR1
SCHEMBL16748981 0.75 LMNA (0.38) HCAR3MKNK1ALDH1A1LMNAPOLB
SCHEMBL16132278 0.71 SLC29A1 (0.40) HCAR3MKNK1POLBCRHR1SLC29A1
SCHEMBL21769443 0.71 HCAR3 (0.33) HCAR3
SCHEMBL16002391 0.71 LMNA (0.41) HCAR3MKNK1ALDH1A1LMNAPOLB
SCHEMBL13335930 0.71 HCAR3 (0.50) HCAR3MKNK1ARAOC3TACR1
SCHEMBL17484101 0.69 KCNH2 (0.46) HCAR3MKNK1ALDH1A1LMNADRD3
SCHEMBL20056973 0.67 HCAR3 (0.57) HCAR3ARALDH1A1AOC3CRHR1

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-9359365-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-08-13 US disclosed
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-23 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-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HCAR3 1132/4885MKNK1 122/4885AR 2978/4885
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HCAR3 1132/4885MKNK1 122/4885AR 2978/4885

“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.