SCHEMBL1034359

SCHEMBL1034359

c1cc2c(cc1-c1cnc(NC3CCCCC3)nc1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.50
ULK1 O75385 2/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 3/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL1332860 0.92 MAPK10 (0.50) MAPK10ULK1MAPTKDM4ENPC1
SCHEMBL1076212 0.80 DYRK1A (0.62) MAPK10MAPTKDM4ENPC1RAB9A
SCHEMBL16691171 0.74 KDM4E (0.51) MAPK10ULK1MAPTKDM4EHSD17B10
SCHEMBL2672234 0.73 MAPT (0.39) MAPK10ULK1MAPTKDM4ELMNA
SCHEMBL1035407 0.73 FYN (0.55) MAPTKDM4ENPC1RAB9ATP53
SCHEMBL23873646 0.73 NPC1 (0.57) ULK1MAPTKDM4ELMNAHSD17B10
SCHEMBL6887143 0.73 KDM4E (0.59) MAPTKDM4ENPC1RAB9AGAA
SCHEMBL3121780 0.73 GABBR2 (0.60) MAPK10ULK1MAPTKDM4ELMNA
SCHEMBL1032690 0.73 KDM4E (0.50) MAPK10KDM4ENPC1RAB9AALDH1A1
SCHEMBL1033534 0.72 MAPK10 (0.56) MAPK10KDM4EALDH1A1CLK1CLK2

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 MAPK10 4409/4885ULK1 3494/4885MAPT 4853/4885

“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.