SCHEMBL609776

SCHEMBL609776

Cn1c(=O)c2cc[nH]c2n(C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.43
PDE3A Q14432 6/20 0.43
JAK2 O60674 2/20 0.42
LGMN Q99538 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
POLB P06746 1/20 0.39
PABPC1 P11940 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
ATAD2 Q6PL18 1/20 0.38

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
SCHEMBL27093179 0.74 PDE3B (0.49) PDE3BPDE3ALGMNPOLBPABPC1
SCHEMBL12687273 0.71 TYMP (0.51)
SCHEMBL613034 0.68 ADORA2A (0.46) ATAD2
SCHEMBL7021446 0.67 JAK2 (0.35) JAK2
SCHEMBL14191778 0.67 ALDH1A1 (0.33) JAK2
SCHEMBL4430296 0.67 PDE3B (0.39) PDE3BPDE3ALGMNPOLBPABPC1
SCHEMBL30275447 0.65 PIK3CD (0.46) POLBPABPC1ATAD2
SCHEMBL9039030 0.64 PDE3B (0.54) PDE3BPDE3ALGMNPOLBPABPC1
SCHEMBL12102100 0.64 ADORA2A (0.46) JAK2JAK1JAK3
SCHEMBL13384603 0.63 ATAD2 (0.41) ATAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024215917-A1 MITHRAMYCIN (MTM) 2' OXIMES UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2024-10-17 WO 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
EP-3299371-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-28 EP 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
EP-2708538-B1 Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators GLENMARK PHARMACEUTICALS SA (CH) 2015-08-12 EP disclosed
US-9000159-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-07 US disclosed
US-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-05-08 US disclosed
EP-2708538-A1 Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators Glenmark Pharmaceuticals S.A. (CH) 2014-03-19 EP disclosed
EP-2411393-B1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2014-01-22 EP disclosed
US-8623880-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-07 US disclosed
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
US-6002004-A Pyrrolodiazine derivatives as stabilizers for chilorine-containing polymers WITCO VINYL ADDITIVES GMBH (DE) 1999-12-14 US disclosed
EP-0736569-A1 Derivatives of pyrrolodiazine as stabilisers for polymers containing chlorine CIBA-GEIGY AG (CH) 1996-10-09 EP 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 (4 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 PDE3B 6/4885PDE3A 5/4885JAK2 2755/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A PDE3B 6/4885PDE3A 5/4885JAK2 2755/4885
US-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 PDE3B 1590/4885PDE3A 1388/4885JAK2 2861/4885
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 PDE3B 2081/4885PDE3A 1985/4885JAK2 2681/4885

“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.