SCHEMBL18588902

SCHEMBL18588902

COC(=O)c1nn(COCC[Si](C)(C)C)c2ncnc(NCCO)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
CHEK1 O14757 1/20 0.36
CDK1 P06493 1/20 0.36
KDM4E B2RXH2 2/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADK P55263 3/20 0.33
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
GRM1 Q13255 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL18588900 0.91 KMT2A (0.37) KMT2AMEN1NPC1RAB9ACHEK1
SCHEMBL18588884 0.83 KMT2A (0.39) KMT2AMEN1NPC1RAB9ACHEK1
SCHEMBL18581942 0.79 ADORA1 (0.41)
SCHEMBL18588912 0.77 DGAT1 (0.34)
SCHEMBL18582026 0.77 DGAT1 (0.34)
SCHEMBL20363396 0.75 ATG7 (0.33)
SCHEMBL18582019 0.75 ATG7 (0.33)
SCHEMBL18588892 0.75 ATG7 (0.33)
SCHEMBL18603131 0.75 ATG7 (0.33)
SCHEMBL20363406 0.75 ATG7 (0.33)

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-10017512-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION (US) 2018-07-10 US disclosed
US-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2017-03-09 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-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK2, NTRK3, NTRK1 KMT2A 3044/4885MEN1 3209/4885NPC1 211/4885
US-10017512-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK3, NTRK2, NTRK1 KMT2A 2823/4885MEN1 2489/4885NPC1 331/4885

“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.