SCHEMBL1780904

SCHEMBL1780904

COc1cc(N2CCCN(C)CC2)ccc1Nc1ncc2c(n1)n(C(C)C)c(=O)n2C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.56
BTK Q06187 3/20 0.56
ALK Q9UM73 4/20 0.56
INSR P06213 2/20 0.56
IGF1R P08069 2/20 0.56
CYP3A4 P08684 1/20 0.55
MAPK7 Q13164 5/20 0.54
LRRK2 Q5S007 4/20 0.54
DCLK1 O15075 3/20 0.54
BRD4 O60885 2/20 0.54
CDK4 P11802 1/20 0.54
CCND1 P24385 1/20 0.54
CDK6 Q00534 1/20 0.54
AURKA O14965 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
TTK P33981 1/20 0.53
TNK2 Q07912 5/20 0.52
GAK O14976 1/20 0.51
TNK1 Q13470 1/20 0.51

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
SCHEMBL1782276 0.97 EGFR (0.59) EGFRBTKALKINSRIGF1R
SCHEMBL1782666 0.88 EGFR (0.51) EGFRBTKALKINSRIGF1R
SCHEMBL1782078 0.88 TNK2 (0.53) EGFRBTKALKINSRIGF1R
SCHEMBL1782164 0.87 TTK (0.70) EGFRBTKALKINSRIGF1R
SCHEMBL1781441 0.84 TTK (0.73) EGFRBTKMAPK7LRRK2DCLK1
SCHEMBL1780091 0.82 TTK (0.57) EGFRALKINSRIGF1RMAPK7
SCHEMBL1780670 0.81 TTK (0.62) CDK4CCND1CDK6AURKACCNA2
SCHEMBL1781068 0.81 TTK (0.76) EGFRBTKALKINSRIGF1R
SCHEMBL1780907 0.80 TTK (0.63) EGFRBTKCDK4CCND1CDK6
SCHEMBL20080195 0.78 CDK4 (0.62) EGFRBTKALKINSRIGF1R

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 3 patents. 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
EP-2212326-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-04 EP disclosed
WO-2009024824-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-02-26 WO 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 EGFR 2420/4885BTK 1643/4885ALK 2828/4885

“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.