SCHEMBL1334055

SCHEMBL1334055

Nc1nccc(C2CCCOC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.40
MAPK9 P45984 3/20 0.40
MAPK10 P53779 3/20 0.40
CAMKK2 Q96RR4 1/20 0.38
BACE1 P56817 2/20 0.37
CTSD P07339 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
MAPK14 Q16539 1/20 0.34
AURKA O14965 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PRKACA P17612 1/20 0.34
ADORA2A P29274 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33

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
SCHEMBL23217688 0.90 PIK3CD (0.42) CAMKK2HRH3PIK3CDPIK3CAMAPK14
SCHEMBL2162687 0.83 HSP90AA1 (0.40) CAMKK2HRH3PIK3CDPIK3CAAURKA
SCHEMBL28317093 0.81 HRH4 (0.44) CAMKK2HRH3AURKAHSP90AA1PRKACA
SCHEMBL1270087 0.81 HRH4 (0.49) CAMKK2HRH3AURKAHSP90AA1PRKACA
SCHEMBL2571086 0.80 PIK3CD (0.50) HRH3PIK3CDPIK3CAMAPK14AURKA
SCHEMBL1334272 0.80 HRH4 (0.47) CAMKK2HRH3MAPK14AURKAHSP90AA1
SCHEMBL2036795 0.77 ADORA2A (0.45) CAMKK2HRH3AURKAHSP90AA1PRKACA
SCHEMBL20689024 0.76 HTR1A (0.41) MAPK8MAPK9MAPK10BACE1PIM1
SCHEMBL20688105 0.76 HTR1A (0.41) MAPK8MAPK9MAPK10BACE1PIM1
SCHEMBL20689022 0.76 HTR1A (0.41) MAPK8MAPK9MAPK10BACE1PIM1

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 2 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

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 MAPK8 3599/4885MAPK9 3460/4885MAPK10 4409/4885

“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.