SCHEMBL12258101

SCHEMBL12258101

CCc1n[nH]c2cc(C(C)(C)C)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.44
▸ GSK3B P49841 4/20 0.43
▸ FGFR1 P11362 2/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ CHEK1 O14757 2/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ CHUK O15111 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ PAK4 O96013 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ PRKCG P05129 1/20 0.41
▸ INSR P06213 1/20 0.41
▸ LCK P06239 1/20 0.41

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
SCHEMBL5678040 0.85 GSK3B (0.54) KIF11GSK3BTRPA1KMT2AHSD17B10
SCHEMBL15077178 0.83 GSK3B (0.41) KIF11GSK3BFGFR1FLT3CLK4
SCHEMBL10189221 0.77 KIF11 (0.47) KIF11GSK3BFGFR1PTK2BTRPA1
SCHEMBL10152397 0.77 KIF11 (0.47) KIF11GSK3BFGFR1FLT3CLK4
SCHEMBL12962020 0.77 KIF11 (0.47) KIF11GSK3BFGFR1FLT3CLK4
SCHEMBL84515 0.77 PDPK1 (0.55) KIF11GSK3BFGFR1FLT3CLK4
SCHEMBL130781 0.77 ITK (0.47) KIF11ITKSMN1; SMN2HSD17B10PDE3B
SCHEMBL23478517 0.76 KIF11 (0.46) KIF11GSK3BFGFR1FLT3CLK4
SCHEMBL11388 0.76 PDPK1 (0.58) GSK3BFLT3CLK4PDPK1JAK2
SCHEMBL5790250 0.76 PDE3B (0.36) GSK3BFGFR1AURKAPDPK1JAK2

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
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 — — US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 — — US disclosed
US-8440674-B2 Substituted pyrimidine compounds as RAF inhibitors and methods of use AMGEN INC. (US) 2013-05-14 — — US disclosed
US-8044211-B2 P38 MAP kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-10-25 — — US disclosed
US-20090099185-A1 P38 Map Kinase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-04-16 — — 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 (3 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-20090099185-A1 P38 Map Kinase Inhibitors MAPK1, CNKSR1, MAPK3 KIF11 4666/4885GSK3B 770/4885FGFR1 682/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 KIF11 1361/4885GSK3B 2836/4885FGFR1 483/4885
US-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 KIF11 2675/4885GSK3B 168/4885FGFR1 589/4885

“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.

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