Sugi Predict

Sugi Predict / Compounds / SCHEMBL13638322

SCHEMBL13638322

SCHEMBL13638322

C=C1CC(Nc2nccc(-c3c[nH]c4c(/C=C/C(C)(C)O)cc(F)cc34)n2)CC(C)(C)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 6/20 0.35
▸ MAPK8 P45983 3/20 0.35
▸ MAPK9 P45984 3/20 0.35
▸ MAPK10 P53779 2/20 0.35
▸ CDK1 P06493 4/20 0.34
▸ CCNB1 P14635 4/20 0.34
▸ CDC7 O00311 2/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ CCNB2 O95067 2/20 0.34
▸ MAP4K4 O95819 2/20 0.34
▸ INSR P06213 2/20 0.34
▸ CSF1R P07333 2/20 0.34
▸ PIM1 P11309 2/20 0.34
▸ PRKACA P17612 2/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ ITK Q08881 2/20 0.34
▸ PIM3 Q86V86 2/20 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
SCHEMBL3470590 0.89 RET (0.38) RETMAPK8MAPK9MAPK10CDK1
SCHEMBL3470595 0.89 RET (0.38) RETMAPK8MAPK9MAPK10CDK1
SCHEMBL13638598 0.87 MAPK8 (0.39) RETMAPK8MAPK9MAPK10CDK1
SCHEMBL13638489 0.85 AR (0.43) RETMAPK8MAPK9MAPK10CDK1
SCHEMBL13638328 0.78 RET (0.45) RETMAPK8MAPK9MAPK10CDK1
SCHEMBL13638484 0.78 MAPK8 (0.46) RETMAPK8MAPK9MAPK10CDK1
SCHEMBL13638485 0.78 RET (0.41) RETMAPK8MAPK9MAPK10CDK1
SCHEMBL13638492 0.77 RET (0.40) RETMAPK8MAPK9MAPK10CDK1
SCHEMBL13638546 0.77 RET (0.46) RETMAPK8MAPK9MAPK10CDK1
SCHEMBL13638599 0.77 RET (0.39) RETMAPK8MAPK9MAPK10CDK1

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-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 — — US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 — — 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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK RET 3044/4885MAPK8 197/4885MAPK9 148/4885

“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.