Sugi Predict

Sugi Predict / Compounds / SCHEMBL1033077

SCHEMBL1033077

SCHEMBL1033077

COc1cc(-c2cnc(N[C@H]3CC[C@H](C)CC3)nc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.47
▸ EGLN1 Q9GZT9 2/20 0.43
▸ SYK P43405 1/20 0.43
▸ CDK4 P11802 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.40
▸ GAK O14976 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ PSEN1 P49768 4/20 0.39
▸ PSEN2 P49810 4/20 0.39
▸ APH1B Q8WW43 4/20 0.39
▸ NCSTN Q92542 4/20 0.39
▸ APH1A Q96BI3 4/20 0.39
▸ PSENEN Q9NZ42 4/20 0.39
▸ ACACB O00763 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ ACVR2A P27037 2/20 0.38
▸ TGFBR2 P37173 2/20 0.38
▸ TGFBR1 P36897 1/20 0.38

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
SCHEMBL1033076 1.00 IRAK4 (0.47) IRAK4EGLN1SYKCDK4GSK3B
SCHEMBL1333994 0.83 IRAK4 (0.42) IRAK4HRH3GRM5MAPK1
SCHEMBL1029357 0.83 HASPIN (0.45) IRAK4SYKCDK4GSK3BGRM5
SCHEMBL1333996 0.83 IRAK4 (0.42) IRAK4HRH3GRM5MAPK1
SCHEMBL1029359 0.83 HASPIN (0.45) IRAK4SYKCDK4GSK3BGRM5
SCHEMBL1032533 0.79 MAPK6 (0.47) IRAK4GRM5
SCHEMBL1032531 0.79 MAPK6 (0.47) IRAK4GRM5
SCHEMBL1332233 0.79 PDE10A (0.41) IRAK4EGLN1SYKCDK4GSK3B
SCHEMBL1332236 0.79 PDE10A (0.41) IRAK4EGLN1SYKCDK4GSK3B
SCHEMBL1334188 0.78 GRM5 (0.39) SYKCDK4GSK3BPSEN1PSEN2

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 IRAK4 542/4885EGLN1 2322/4885SYK 2154/4885

“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.