SCHEMBL489058

SCHEMBL489058

CCCCCCN1CNc2c1nc(N)[nH]c2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 6/20 0.56
PNP P00491 1/20 0.48
NOS1 P29475 5/20 0.43
DHFR P00374 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
GBA1 P04062 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL9364441 0.89 HPRT1 (0.60) HPRT1PNPNOS1NOS3NOS2
SCHEMBL571646 0.85 HPRT1 (0.60) HPRT1PNPNOS1
SCHEMBL3836268 0.84 HPRT1 (0.61) HPRT1PNPNOS1NOS3NOS2
SCHEMBL3793007 0.84 HPRT1 (0.58) HPRT1PNPNOS1NOS3NOS2
SCHEMBL3743947 0.83 HPRT1 (0.56) HPRT1NOS1KMT2AALDH1A1NOS3
SCHEMBL9515983 0.83 HPRT1 (0.72) HPRT1PNP
SCHEMBL6061495 0.82 HPRT1 (0.58) HPRT1PNPNOS1
SCHEMBL9662657 0.82 HPRT1 (0.56) HPRT1NOS1NOS3NOS2
SCHEMBL9513457 0.80 HPRT1 (0.49) HPRT1PNPNOS1
SCHEMBL9514656 0.79 HPRT1 (0.56) HPRT1PNP

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 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101460178-B Immune regulative RNA (SIMRA) compound for the stabilisation of TLR7 and TLR8 艾德拉药物股份有限公司 2016-12-07 CN claimed
US-9243050-B2 Stabilized immune modulatory RNA (SIMRA) compounds for TLR7 and TLR8 Idera Pharamaceuticals, Inc. (US) 2016-01-26 US claimed
EP-2021008-B1 STABILIZED IMMUNE MODULATORY RNA (SIMRA) COMPOUNDS FOR TLR7 AND TLR8 IDERA PHARMACEUTICALS INC (US) 2015-12-02 EP claimed
EP-1934239-B1 IMMUNE REGULATORY OLIGONUCLEOTIDE (IRO) COMPOUNDS TO MODULATE TOLL-LIKE RECEPTOR BASED IMMUNE RESPONSE IDERA PHARMACEUTICALS INC (US) 2015-07-15 EP claimed
US-20140308300-A1 STABILIZED IMMUNE MODULATORY RNA (SIMRA) COMPOUNDS FOR TLR7 AND TLR8 NOVAQUEST CO-INVESTMENT FUND XV, L.P. 2014-10-16 US claimed
US-8853375-B2 Toll like receptor modulators IDERA PHARMACEUTICALS, INC. (US) 2014-10-07 US claimed
US-8759310-B2 Stabilized immune modulatory RNA (SIMRA) compounds for TLR7 and TLR8 IDERA PHARMACEUTICALS, INC. (US) 2014-06-24 US claimed
US-20130202584-A1 STABILIZED IMMUNE MODULATORY RNA (SIMRA) COMPOUNDS FOR TLR7 AND TLR8 IDERA PHARMACEUTICALS, INC. 2013-08-08 US claimed
US-8106173-B2 Stabilized immune modulatory RNA (SIMRA) compounds for TLR7 and TLR8 IDERA PHARMACEUTICALS, INC. (US) 2012-01-31 US claimed
JP-2009533348-A 2009-09-17 JP claimed
CN-101460178-A Stabilized immune modulatory RNA (SIMRA) compounds for TLR7 and TLR8 IDERA PHARMACEUTICALS INC (US) 2009-06-17 CN claimed
EP-2021008-A2 STABILIZED IMMUNE MODULATORY RNA (SIMRA) COMPOUNDS FOR TLR7 AND TLR8 Idera Pharmaceuticals, Inc. (US) 2009-02-11 EP claimed
US-20080171712-A1 At least two oligonucleotides having modified purine bases, such as deazaguanosines or deaza-adenosines, linked by an alkyl or phenolic diol or triol; vaccines, DNA vaccines; anticarcinogenic, antiallergenic, antiinflammatory agents; bronchodilators IDERA PHARMACEUTICALS, INC. 2008-07-17 US claimed
WO-2007117686-A2 STABILIZED IMMUNE MODULATORY RNA (SIMRA) COMPOUNDS FOR TLR7 AND TLR8 IDERA PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
EP-4323525-A2 OPTIMIZED TLR7 LIGANDS AND USES THEREOF Genentech, Inc. (US) 2024-02-21 EP disclosed
US-20240042019-A1 OPTIMIZED TLR7 LIGANDS AND USES THEREOF GENENTECH INC (US) 2024-02-08 US disclosed
CN-117203340-A Optimized TLR7 ligands and uses thereof 基因泰克公司 2023-12-08 CN disclosed
WO-2007047396-A2 IMMUNE REGULATORY OLIGONUCLEOTIDE (IRO) COMPOUNDS TO MODULATE TOLL-LIKE RECEPTOR BASED IMMUNE RESPONSE IDERA PHARMACEUTICALS, INC. (US) 2007-04-26 WO disclosed
WO-2005016235-A2 COMBINED USE OF IMPDH INHIBITORS WITH TOLL-LIKE RECEPTOR AGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-02-24 WO disclosed
US-20050004144-A1 Combined use of IMPDH inhibitors with toll-like receptor agonists REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-06 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 (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-20050004144-A1 Combined use of IMPDH inhibitors with toll-like receptor agonists IMPDH1, TLR3, IMPDH2 HPRT1 73/4885PNP 55/4885NOS1 761/4885
US-20080171712-A1 At least two oligonucleotides having modified purine bases, such as deazaguanosines or deaza-adenosines, linked by an alkyl or phenolic diol or triol; vaccines, DNA vaccines; anticarcinogenic, antiallergenic, antiinflammatory agents; bronchodilators TLR8, TLR7, TLR9 HPRT1 596/4885PNP 46/4885NOS1 1917/4885
US-20130202584-A1 STABILIZED IMMUNE MODULATORY RNA (SIMRA) COMPOUNDS FOR TLR7 AND TLR8 TLR8, TLR7, TLR9 HPRT1 913/4885PNP 406/4885NOS1 2775/4885
US-20140308300-A1 STABILIZED IMMUNE MODULATORY RNA (SIMRA) COMPOUNDS FOR TLR7 AND TLR8 TLR8, TLR7, TLR9 HPRT1 913/4885PNP 406/4885NOS1 2775/4885

“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.