SCHEMBL19082960

SCHEMBL19082960

Cc1nc(CCc2nccnc2CO)c2cc[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.36
JAK2 O60674 4/20 0.33
DAPK3 O43293 3/20 0.33
PAK4 O96013 3/20 0.33
RET P07949 3/20 0.33
LTK P29376 3/20 0.33
KDR P35968 3/20 0.33
MAP2K2 P36507 3/20 0.33
MAPK8 P45983 3/20 0.33
CLK2 P49760 3/20 0.33
RPS6KA3 P51812 3/20 0.33
JAK3 P52333 3/20 0.33
CDK5 Q00535 3/20 0.33
MAP2K1 Q02750 3/20 0.33
MST1R Q04912 3/20 0.33
PTK2 Q05397 3/20 0.33
MAP4K2 Q12851 3/20 0.33
ROCK1 Q13464 3/20 0.33
LRRK2 Q5S007 3/20 0.33
AURKB Q96GD4 3/20 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
SCHEMBL19082955 0.86 PRKCI (0.33) NUDT1JAK2DAPK3PAK4RET
SCHEMBL19082959 0.80 LMNA (0.36) NUDT1CLK2PTK2LRRK2AURKB
SCHEMBL19082952 0.78 JAK2 (0.32) NUDT1JAK2DAPK3PAK4RET
SCHEMBL19082948 0.78 PRKCI (0.36) NUDT1JAK2DAPK3PAK4RET
SCHEMBL29829901 0.78 PIK3CA (0.34) AURKAMAPK1CHEK1
SCHEMBL17017328 0.78 PIK3CA (0.34) AURKAMAPK1CHEK1
SCHEMBL19082953 0.77 NUDT1 (0.34) NUDT1JAK2DAPK3PAK4RET
SCHEMBL19082949 0.72 KDR (0.34) JAK2DAPK3PAK4RETLTK
SCHEMBL19082946 0.71 ADORA2A (0.40) JAK2JAK3ADORA2AADORA1MAPK1
SCHEMBL19082969 0.69 CLK2 (0.40) NUDT1CLK2PTK2AURKBCLK4

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 NUDT1 447/4885JAK2 4247/4885DAPK3 1575/4885

“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.