SCHEMBL19082969

SCHEMBL19082969

Cc1nc(NCc2nccnc2C)c2cc[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
AURKB Q96GD4 1/20 0.40
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
DYRK1A Q13627 7/20 0.36
DYRK2 Q92630 6/20 0.36
DYRK1B Q9Y463 6/20 0.36
CLK1 P49759 3/20 0.36
DYRK3 O43781 2/20 0.36
DYRK4 Q9NR20 2/20 0.36
PTK2 Q05397 3/20 0.36
SYK P43405 1/20 0.35
PIM1 P11309 4/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TGFBR1 P36897 2/20 0.32
TGFBR2 P37173 2/20 0.32
BRAF P15056 1/20 0.32
NUDT1 P36639 1/20 0.32

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
SCHEMBL19082959 0.87 LMNA (0.36) CLK2CLK4AURKBLMNATSHR
SCHEMBL19082954 0.82 PTK2 (0.52) PTK2HDAC6
SCHEMBL19082945 0.79 LMNA (0.44) CLK2CLK4AURKBLMNATSHR
SCHEMBL19082955 0.79 PRKCI (0.33) CLK2CLK4AURKBDYRK1APTK2
SCHEMBL29829565 0.78 CYP1A2 (0.38) LMNATSHRHTT
SCHEMBL19082957 0.78 CYP1A2 (0.38) LMNATSHRHTT
SCHEMBL17017334 0.77 DYRK1A (0.35) LMNATSHRHTTDYRK1ADYRK2
Rolodine SCHEMBL121916 0.76 NPY5R (0.49) LMNADYRK1ADYRK2DYRK1BPIM1
SCHEMBL19082956 0.75 CYP1A2 (0.47) CLK4LMNATSHRHTT
SCHEMBL19082950 0.74 TSHR (0.39) CLK2CLK4AURKBLMNATSHR

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-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE Mitokinin, LLC (US) 2017-07-06 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-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, MT-ND2 CLK2 749/4885CLK4 1555/4885AURKB 2786/4885

“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.