SCHEMBL19619633

SCHEMBL19619633

CCc1cc2ncn(CC)c2c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
ADORA2B P29275 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
BRD4 O60885 2/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
ALDH1A1 P00352 3/20 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
SCHEMBL17563256 0.81 LMNA (0.41) ADORA2ADPP4DPP8NPC1RAB9A
SCHEMBL24463334 0.80 ADORA2A (0.36) ADORA2ADPP4DPP8NPC1RAB9A
SCHEMBL26790826 0.78 ADORA2A (0.34) ADORA2ADPP4DPP8NPC1RAB9A
SCHEMBL17694873 0.78 ADORA2A (0.34) ADORA2ADPP4DPP8NPC1RAB9A
SCHEMBL24463137 0.74 DPP4 (0.39) ADORA2ADPP4DPP8NPC1RAB9A
SCHEMBL30490152 0.74 DPP4 (0.39) ADORA2ADPP4DPP8NPC1RAB9A
SCHEMBL22778950 0.73 GGPS1 (0.46) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL26790835 0.73 ADORA2A (0.31) ADORA2ADPP4DPP8
SCHEMBL26790864 0.71 DPP4 (0.36) ADORA2ADPP4DPP8NPC1RAB9A
SCHEMBL14249825 0.70 PRPS1 (0.46) ADORA2ADPP4DPP8NPC1RAB9A

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-10543198-B2 Inhibitor of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-01-28 US disclosed
US-20180028508-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2018-02-01 US disclosed
US-9822119-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2017-11-21 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-20180028508-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A ADORA2A 4213/4885DPP4 1536/4885DPP8 1236/4885
US-10543198-B2 Inhibitor of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A ADORA2A 4263/4885DPP4 1674/4885DPP8 1361/4885

“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.