SCHEMBL1783588

SCHEMBL1783588

CNC(=O)c1ccc(Nc2ncc3c(n2)n(C(C)C)c(=O)n3C)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.53
EGFR P00533 1/20 0.51
PTK2 Q05397 4/20 0.51
IGF1R P08069 2/20 0.47
TTK P33981 3/20 0.46
AURKA O14965 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
PLK1 P53350 3/20 0.46
BRD4 O60885 2/20 0.46
BRDT Q58F21 1/20 0.46
CSF1R P07333 2/20 0.45
PRKDC P78527 2/20 0.45

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
SCHEMBL1781041 0.87 BRD4 (0.63) LRRK2PTK2IGF1RAURKAPLK1
SCHEMBL1782949 0.84 TTK (0.66) LRRK2PTK2TTKAURKACCNA2
SCHEMBL1782276 0.79 EGFR (0.59) LRRK2EGFRIGF1RTTKAURKA
SCHEMBL1780091 0.79 TTK (0.57) EGFRPTK2IGF1RTTKAURKA
SCHEMBL1781068 0.77 TTK (0.76) EGFRIGF1RTTKAURKACCNA2
SCHEMBL1782666 0.77 EGFR (0.51) LRRK2EGFRIGF1RTTKBRD4
SCHEMBL1780904 0.77 EGFR (0.56) LRRK2EGFRIGF1RTTKAURKA
SCHEMBL1781156 0.77 TTK (0.70) EGFRIGF1RTTKAURKACCNA2
SCHEMBL1781289 0.74 TTK (0.68) LRRK2TTKAURKACCNA2CDK2
SCHEMBL1782281 0.74 TTK (0.54) LRRK2EGFRPTK2TTKAURKA

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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 LRRK2 840/4885EGFR 2420/4885PTK2 259/4885

“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.