SCHEMBL19082955

SCHEMBL19082955

Cc1nc(CCc2nccnc2C)c2cc[nH]c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 4/20 0.33
AXL P30530 3/20 0.33
NUDT1 P36639 2/20 0.33
BRAF P15056 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPK1 P28482 1/20 0.33
AURKA O14965 2/20 0.32
AURKB Q96GD4 2/20 0.32
ROCK1 Q13464 2/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
PAK4 O96013 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
LTK P29376 1/20 0.32
KDR P35968 1/20 0.32
MAP2K2 P36507 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 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
SCHEMBL19082960 0.86 NUDT1 (0.36) PRKCIAXLNUDT1ADORA2AADORA1
SCHEMBL19082948 0.81 PRKCI (0.36) PRKCIAXLNUDT1BRAFMAPK1
SCHEMBL19082969 0.79 CLK2 (0.40) NUDT1BRAFAURKBCLK2PTK2
SCHEMBL29829148 0.77 PIK3CA (0.36) ADORA1AURKAPAK4RETLRRK2
SCHEMBL19064633 0.77 PIK3CA (0.36) ADORA1AURKAPAK4RETLRRK2
SCHEMBL19082949 0.74 KDR (0.34) ADORA2AADORA1AURKAAURKBROCK1
SCHEMBL19082946 0.73 ADORA2A (0.40) ADORA2AADORA1MAPK1JAK2JAK3
SCHEMBL19082952 0.72 JAK2 (0.32) NUDT1ADORA2AADORA1AURKAAURKB
SCHEMBL5134352 0.71 ADORA2A (0.44) PRKCIAXLNUDT1BRAFADORA2A
SCHEMBL19082953 0.71 NUDT1 (0.34) PRKCIAXLNUDT1ADORA2AADORA1

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 PRKCI 1508/4885AXL 4843/4885NUDT1 447/4885

“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.