SCHEMBL1035407

SCHEMBL1035407

Fc1cccc(-c2cnc(NC3CCCCC3)nc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.55
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.51
MAP4K4 O95819 2/20 0.48
ADORA1 P30542 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SYK P43405 1/20 0.43
CDK7 P50613 1/20 0.43
CCNH P51946 1/20 0.43
MNAT1 P51948 1/20 0.43
CTSC P53634 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL6887143 0.83 KDM4E (0.59) KDM4EGAAADORA1MAPTHDAC3
SCHEMBL6886534 0.81 KDM4E (0.56) KDM4EGAAADORA1MAPTHDAC3
SCHEMBL1034532 0.80 GALR2 (0.51) KDM4EGAAPIM1
SCHEMBL1028968 0.80 MAP4K4 (0.55) FYNKDM4EGAAMAP4K4PIM1
SCHEMBL1033283 0.77 KDM4E (0.51) KDM4EGAAADORA1MAPTHDAC3
SCHEMBL16691171 0.74 KDM4E (0.51) KDM4EGAAADORA1TP53MAPT
SCHEMBL1034359 0.73 MAPK10 (0.50) KDM4EGAAADORA1TP53MAPT
SCHEMBL1332860 0.73 MAPK10 (0.50) KDM4EGAATP53MAPTHDAC3
SCHEMBL1032690 0.73 KDM4E (0.50) KDM4EGAAHDAC3HDAC1HDAC2
SCHEMBL558836 0.72 CDK2 (0.50) KDM4EGAACDK7CCNHMNAT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010068863-A2 PYRIMIDINE COMPOUNDS AND METHODS OF MAKING AND USING SAME CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2010-06-17 WO claimed
US-8513242-B2 Pyrimidine compounds and methods of making and using same CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2013-08-20 US disclosed
US-20110281873-A1 Pyrimidine Compounds and Methods of Making and Using Same CYSTIC FIBROSIS FOUNDATION 2011-11-17 US disclosed
WO-2011008931-A2 ARYLPYRIMIDINE COMPOUNDS AND COMBINATION THERAPY COMPRISING SAME FOR TREATING CYSTIC FIBROSIS & RELATED DISORDERS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2011-01-20 WO disclosed
WO-2010068863-A2 PYRIMIDINE COMPOUNDS AND METHODS OF MAKING AND USING SAME CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2010-06-17 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-20110281873-A1 Pyrimidine Compounds and Methods of Making and Using Same CFTR, GPR17, TYMS FYN 3955/4885KDM4E 4417/4885GAA 1705/4885

“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.