SCHEMBL3698238

SCHEMBL3698238

CC(C)Oc1cc(-n2cnc3cnc(N[C@@H](C)c4ccc(F)cc4)nc32)n[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 17/20 0.61
JAK2 O60674 3/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
ABL1 P00519 1/20 0.43
FGR P09769 1/20 0.43
FGFR1 P11362 1/20 0.43
SRC P12931 1/20 0.43
PHKG2 P15735 1/20 0.43
FLT4 P35916 1/20 0.43
FLT3 P36888 1/20 0.43
SIK1 P57059 1/20 0.43
MAP3K9 P80192 1/20 0.43
PTK2 Q05397 1/20 0.43
BTK Q06187 1/20 0.43
ITK Q08881 1/20 0.43
MAPK14 Q16539 1/20 0.43
TSSK2 Q96PF2 1/20 0.43
WNK3 Q9BYP7 1/20 0.43
ALK Q9UM73 1/20 0.43

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
SCHEMBL27689864 1.00 NTRK1 (0.61) NTRK1JAK2AURKAAURKBABL1
SCHEMBL3781243 0.89 NTRK1 (0.77) NTRK1JAK2AURKAABL1FGR
SCHEMBL3774696 0.88 NTRK1 (0.72) NTRK1JAK2ABL1FGRFGFR1
SCHEMBL3705688 0.86 NTRK1 (0.59) NTRK1JAK2AURKAAURKBABL1
SCHEMBL3702483 0.84 NTRK1 (0.58) NTRK1JAK2AURKAAURKBABL1
SCHEMBL4696821 0.83 NTRK1 (0.81) NTRK1JAK2
SCHEMBL27689887 0.83 NTRK1 (0.81) NTRK1JAK2
SCHEMBL4696858 0.83 NTRK1 (0.81) NTRK1JAK2
SCHEMBL4696616 0.80 AURKA (0.47) NTRK1JAK2AURKAAURKBABL1
SCHEMBL56315 0.77 NTRK1 (0.59) NTRK1JAK2AURKAAURKBABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122892-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-05-17 US claimed
US-20080176872-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-07-24 US claimed
EP-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP claimed
CN-101119988-A Chemical compound ASTRAZENECA AB (SE) 2008-02-06 CN claimed
EP-1853588-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2007-11-14 EP claimed
WO-2006087530-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-08-24 WO claimed
EP-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP disclosed
CN-101119988-A Chemical compound ASTRAZENECA AB (SE) 2008-02-06 CN 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 (2 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-20080176872-A1 Chemical Compounds TP53, XPOT, KRAS NTRK1 4732/4885JAK2 812/4885AURKA 159/4885
US-20120122892-A1 CHEMICAL COMPOUNDS TP53, XPOT, KRAS NTRK1 4681/4885JAK2 873/4885AURKA 185/4885

“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.