SCHEMBL1782345

SCHEMBL1782345

CC(C)n1c(=O)[nH]c2cnc(Cl)nc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP1 O94782 6/20 0.43
TYRO3 Q06418 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MTOR P42345 1/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
PGR P06401 3/20 0.40
JAK2 O60674 6/20 0.39
JAK3 P52333 6/20 0.39
JAK1 P23458 5/20 0.39

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
SCHEMBL17168775 0.85 TYRO3 (0.41) USP1TYRO3DYRK1BMTORMEN1
SCHEMBL4191400 0.84 CYP1A2 (0.49) USP1TYRO3DYRK1BMEN1LMNA
SCHEMBL12067329 0.82 USP1 (0.65) USP1JAK2JAK3JAK1
SCHEMBL17807756 0.81 USP1 (0.45) USP1MTORPOLBJAK2JAK3
SCHEMBL15794948 0.81 JAK2 (0.59) USP1TYRO3DYRK1BJAK2JAK3
SCHEMBL15794950 0.81 JAK2 (0.59) USP1TYRO3DYRK1BJAK2JAK3
SCHEMBL15794946 0.79 JAK2 (0.62) USP1PGRJAK2JAK3JAK1
SCHEMBL15794947 0.79 JAK2 (0.62) USP1PGRJAK2JAK3JAK1
SCHEMBL23507970 0.79 USP1 (0.41) USP1MTORPOLBJAK2JAK3
SCHEMBL22419395 0.79 USP1 (0.41) USP1MTORPOLBJAK2JAK3

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 USP1 1128/4885TYRO3 830/4885DYRK1B 137/4885

“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.