SCHEMBL18256161

SCHEMBL18256161

CNc1cn(C)nc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 18/20 0.48
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
KCNH2 Q12809 1/20 0.42

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
SCHEMBL27305866 0.83 L3MBTL1 (0.42) IRAK4
SCHEMBL20828241 0.82 IRAK4 (0.52) IRAK4KCNH2
SCHEMBL23844282 0.76 L3MBTL1 (0.47) IRAK4
SCHEMBL19657430 0.75 GAA (0.44) IRAK4ADORA2AADORA1
SCHEMBL3081863 0.75 ADORA2A (0.49) IRAK4ADORA2AADORA1KCNH2
SCHEMBL1833232 0.75 ADORA2A (0.49) IRAK4ADORA2AADORA1
SCHEMBL31759474 0.75 ADORA2A (0.49) IRAK4ADORA2AADORA1
SCHEMBL1703833 0.75 ADORA2A (0.53) IRAK4ADORA2AADORA1KCNH2
SCHEMBL1359128 0.73 SMN1; SMN2 (0.50) ADORA2AADORA1
Hydrochloric Acid SCHEMBL4032485 0.73 ADORA2A (0.47) IRAK4ADORA2AADORA1KCNH2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670499-B1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ASTRAZENECA AB (SE) 2021-09-29 EP disclosed
CN-107709323-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2020-11-20 CN disclosed
EP-3670499-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS Astrazeneca AB (SE) 2020-06-24 EP disclosed
EP-3292105-B1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ASTRAZENECA AB (SE) 2019-10-02 EP disclosed
US-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 US disclosed
US-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 US disclosed
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 US disclosed
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 US disclosed
EP-3299371-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-28 EP disclosed
CN-107709323-A Oxipurinol class compound and its application 广东众生药业股份有限公司 2018-02-16 CN disclosed
WO-2016184312-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF 南京明德新药研发股份有限公司 2016-11-24 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 (2 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-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A IRAK4 1305/4885ADORA2A 30/4885ADORA1 87/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A IRAK4 1305/4885ADORA2A 30/4885ADORA1 87/4885

“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.