SCHEMBL1782078

SCHEMBL1782078

CCOc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)n(C(C)C)c(=O)n2C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 2/20 0.53
PTK2 Q05397 1/20 0.53
EGFR P00533 7/20 0.51
BTK Q06187 3/20 0.51
JAK3 P52333 1/20 0.49
SRC P12931 1/20 0.49
CYP3A4 P08684 1/20 0.49
CCNB2 O95067 1/20 0.48
CCNE2 O96020 1/20 0.48
CDK1 P06493 1/20 0.48
FGFR1 P11362 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR4 P22455 1/20 0.48
FGFR3 P22607 1/20 0.48
CCND1 P24385 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48

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 0.91 EGFR (0.59) TNK2EGFRBTKCYP3A4CDK4
SCHEMBL1780904 0.88 EGFR (0.56) TNK2EGFRBTKCYP3A4CDK4
SCHEMBL1782666 0.86 EGFR (0.51) EGFRBTKCYP3A4ALKIGF1R
SCHEMBL1780670 0.82 TTK (0.62) PTK2CDK4CCNA2CCND1CDK2
SCHEMBL3663805 0.78 TNK2 (0.55) TNK2PTK2EGFRJAK3SRC
SCHEMBL1781441 0.77 TTK (0.73) EGFRBTKCDK4CCNA2CCND1
SCHEMBL1780091 0.77 TTK (0.57) TNK2PTK2EGFRJAK3CCNA2
SCHEMBL27196789 0.76 CDK4 (0.61) TNK2PTK2EGFRSRCCCNB2
SCHEMBL1783576 0.75 CDK4 (0.58) EGFRSRCCCNB2CCNE2CDK1
SCHEMBL1781068 0.75 TTK (0.76) EGFRBTKCYP3A4CDK4CCNA2

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 TNK2 347/4885PTK2 259/4885EGFR 2420/4885

“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.