SCHEMBL17563262

SCHEMBL17563262

Cc1cc2ncn(C(C)C)c2c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
POLB P06746 1/20 0.36
HCAR3 P49019 1/20 0.36
MAPK14 Q16539 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA2B P29275 1/20 0.30
PI4KA P42356 1/20 0.30
PI4K2B Q8TCG2 1/20 0.30
PI4K2A Q9BTU6 1/20 0.30
PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL17694876 0.81 ADORA2A (0.36) ABL1SMN1; SMN2ADORA2AADORA1HCAR3
SCHEMBL17563255 0.77 DPP4 (0.36) ADORA2AADORA1POLBKDM4EGFER
SCHEMBL22598703 0.74 MAPK14 (0.38) ABL1SMN1; SMN2ADORA2AADORA1HCAR3
SCHEMBL17563260 0.72 HCAR3 (0.45) SMN1; SMN2POLBHCAR3MAPK14MAPK13
SCHEMBL17563256 0.72 LMNA (0.41) SMN1; SMN2ADORA2APOLBKDM4ENPC1
SCHEMBL7724928 0.71 POLB (0.56) SMN1; SMN2POLBHCAR3KDM4ENPC1
SCHEMBL21989604 0.70 ABL1 (0.36) ABL1ADORA2AADORA1HCAR3MAPK14
SCHEMBL30442219 0.70 ABL1 (0.36) ABL1ADORA2AADORA1HCAR3MAPK14
SCHEMBL18762215 0.68 MEN1 (0.41) SMN1; SMN2ADORA2AADORA1HCAR3KDM4E
SCHEMBL24328059 0.67 SMN1; SMN2 (0.40) SMN1; SMN2ADORA2AADORA1POLBHCAR3

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-9822119-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2017-11-21 US disclosed
US-20160108046-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. 2016-04-21 US disclosed
WO-2016037005-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Quanticel Pharmaceuticals, Inc. (US) 2016-03-10 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-20160108046-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A ABL1 1129/4885SMN1; SMN2 3108/4885ADORA2A 4213/4885

“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.