SCHEMBL1781369

SCHEMBL1781369

O=c1[nH]c2cnc(Cl)nc2n1C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.48
JAK2 O60674 10/20 0.48
JAK3 P52333 10/20 0.48
JAK1 P23458 7/20 0.48
MAP3K11 Q16584 1/20 0.45
CCNE2 O96020 3/20 0.45
CCNE1 P24864 3/20 0.45
CDK2 P24941 3/20 0.45
MTOR P42345 1/20 0.44
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42
PGR P06401 1/20 0.41
TYK2 P29597 1/20 0.41

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
SCHEMBL29501865 0.99 HCAR1 (0.50) HCAR1JAK2JAK3JAK1MAP3K11
SCHEMBL1693604 0.99 HCAR1 (0.50) HCAR1JAK2JAK3JAK1MAP3K11
SCHEMBL21593673 0.89 JAK2 (0.43) HCAR1JAK2JAK3JAK1MAP3K11
SCHEMBL29770995 0.89 JAK2 (0.47) HCAR1JAK2JAK3JAK1CCNE2
SCHEMBL20299440 0.89 JAK2 (0.47) HCAR1JAK2JAK3JAK1CCNE2
SCHEMBL23974060 0.88 JAK2 (0.44) HCAR1JAK2JAK3JAK1CCNE2
SCHEMBL1693606 0.88 JAK2 (0.59) JAK2JAK3JAK1MTORCHRM2
SCHEMBL23929312 0.88 JAK2 (0.44) HCAR1JAK2JAK3JAK1CCNE2
SCHEMBL20329966 0.88 JAK2 (0.54) JAK2JAK3JAK1MAP3K11MTOR
SCHEMBL23452644 0.88 JAK2 (0.54) JAK2JAK3JAK1MAP3K11MTOR

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 HCAR1 4228/4885JAK2 761/4885JAK3 1574/4885

“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.