SCHEMBL1034813

SCHEMBL1034813

COc1ncc(-c2cnc(NC3CCC(C)CC3)nc2OC)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.48
MAPK8 P45983 6/20 0.42
ALDH1A1 P00352 1/20 0.41
JAK3 P52333 1/20 0.36
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
GAS6 Q14393 1/20 0.36
MAPK10 P53779 3/20 0.35
JUN P05412 1/20 0.35
CDK4 P11802 2/20 0.35
CDK1 P06493 2/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
QPCT Q16769 1/20 0.34
QPCTL Q9NXS2 1/20 0.34
GSK3B P49841 1/20 0.34
PIK3CA P42336 2/20 0.34
MAPK9 P45984 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL1034814 1.00 GRM5 (0.48) GRM5MAPK8ALDH1A1JAK3FLT3
SCHEMBL1334293 0.90 GRM5 (0.50) GRM5MAPK8ALDH1A1FLT3TYRO3
SCHEMBL1334291 0.90 GRM5 (0.50) GRM5MAPK8ALDH1A1FLT3TYRO3
SCHEMBL1332877 0.82 GRM5 (0.43) GRM5MAPK8ALDH1A1FLT3TYRO3
SCHEMBL3418538 0.82 GRM5 (0.43) GRM5MAPK8ALDH1A1MAPK10JUN
SCHEMBL3418540 0.82 GRM5 (0.43) GRM5MAPK8ALDH1A1MAPK10JUN
SCHEMBL1332875 0.82 GRM5 (0.43) GRM5MAPK8ALDH1A1FLT3TYRO3
SCHEMBL1334198 0.80 CDK4 (0.43) GRM5MAPK8ALDH1A1FLT3TYRO3
SCHEMBL1334531 0.80 PDE10A (0.44) GRM5MAPK8ALDH1A1MAPK10JUN
SCHEMBL1334530 0.80 PDE10A (0.44) GRM5MAPK8ALDH1A1MAPK10JUN

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-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

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 GRM5 2764/4885MAPK8 3599/4885ALDH1A1 1880/4885

“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.