SCHEMBL22201885

SCHEMBL22201885

Cc1cnc2[nH]cc(C(C)(C)C)c2n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.39
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 3/20 0.33
JAK1 P23458 3/20 0.33
JAK3 P52333 3/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
IRAK4 Q9NWZ3 1/20 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
SCHEMBL24370189 0.84 SYK (0.36) SYKMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL22201891 0.82 MAPK1 (0.35) SYKMAPK1JAK2JAK1JAK3
SCHEMBL18352331 0.78 JAK2 (0.34) SYKMAPK1JAK2JAK1JAK3
SCHEMBL7950769 0.77 MAPK1 (0.39) SYKMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL14616216 0.74 MAPK1 (0.62) SYKMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL16946856 0.74 MAPK1 (0.37) SYKMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL13199608 0.74 JAK2 (0.40) SYKMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL25851514 0.74 MAPK1 (0.37) SYKMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL12223458 0.73 MAPK1 (0.50) MAPK1JAK2IRAK4
SCHEMBL24126326 0.71 IRAK4 (0.30) IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216465-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TURNING POINT THERAPEUTICS INC (US) 2020-07-09 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-20200216465-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 SYK 394/4885MAPK1 82/4885ALDH1A1 4630/4885

“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.