SCHEMBL18136605

SCHEMBL18136605

COC(=O)N1CCCC(n2cnc3ccc(C)cc32)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HPGD P15428 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 2/20 0.46
USP2 O75604 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
P2RX3 P56373 1/20 0.45
P2RX2 Q9UBL9 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.44
HCAR1 Q9BXC0 1/20 0.42
PROKR1 Q8TCW9 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL18136607 0.87 HPGD (0.43) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL18211621 0.86 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL18136720 0.81 USP30 (0.42) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL18136608 0.78 DRD2 (0.40) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL17678351 0.78 GAA (0.47) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL18136684 0.78 GAA (0.50) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL18136617 0.77 TSHR (0.41) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL25420861 0.77 HCAR1 (0.55) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL18136723 0.76 GAA (0.52) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL18130860 0.75 MAPK1 (0.44)

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-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2016-11-10 US disclosed
WO-2016164641-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2016-10-13 WO 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-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, MAP4K2, PLK1 ALDH1A1 3767/4885HPGD 2065/4885MEN1 750/4885

“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.