SCHEMBL47334

SCHEMBL47334

C/C=N/Nc1ccc(C(C)=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 15/20 0.44
NNMT P40261 1/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HCAR2 Q8TDS4 2/20 0.38
KCNJ1 P48048 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
SCHEMBL10025164 0.84 BAZ2B (0.47) HCAR3NNMTNPC1HTTRAB9A
SCHEMBL13499099 0.83 RAB9A (0.57) HCAR3NNMTNPC1HTTRAB9A
SCHEMBL14262189 0.80 HCAR3 (0.46) HCAR3NNMTRAB9ASMN1; SMN2HCAR2
SCHEMBL10014112 0.80 HCAR3 (0.46) HCAR3NNMTRAB9AHCAR2KCNJ1
SCHEMBL22644579 0.80 RAB9A (0.54) NNMTNPC1HTTRAB9ACDK5
SCHEMBL18786347 0.78 SMN1; SMN2 (0.55) HCAR3NNMTNPC1HTTRAB9A
SCHEMBL12588541 0.75 HCAR3 (0.72) HCAR3NNMTHCAR2KCNJ1
SCHEMBL11005841 0.74 NNMT (0.53) HCAR3NNMTHCAR2KCNJ1
SCHEMBL1695281 0.74 RAB9A (0.47) NPC1RAB9ASMN1; SMN2
SCHEMBL7093993 0.74 PTK2 (0.62) HCAR3NNMTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212095-A1 MOLECULES THAT ENHANCE EXTRACELLULAR VESICLE RELEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-02 WO disclosed
US-20220152188-A1 TLR4-TLR7 LIGAND FORMULATIONS AS VACCINE ADJUVANTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-05-19 US disclosed
US-20210380546-A1 VACCINE ADJUVANT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-09 US disclosed
US-20210038742-A1 CONJUGATION OF TLR7 AGONIST TO NANO-MATERIALS ENHANCES THE AGONISTIC ACTIVITY HUANG CHING HSIN (US) 2021-02-11 US disclosed
US-20180110784-A1 SYNTHETIC TLR4 AND TLR7 LIGANDS TO PREVENT, INHIBIT OR TREAT LIVER DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-04-26 US disclosed
US-20180110784-A1 SYNTHETIC TLR4 AND TLR7 LIGANDS TO PREVENT, INHIBIT OR TREAT LIVER DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-04-26 US disclosed
EP-2903987-B1 PHOSPHOLIPID DRUG ANALOGS UROGEN PHARMA LTD (IL) 2017-09-20 EP disclosed
US-9540407-B2 Phospholipid drug analogs UROGEN PHARMA LTD (IL) 2017-01-10 US disclosed
US-9540407-B2 Phospholipid drug analogs UROGEN PHARMA LTD (IL) 2017-01-10 US disclosed
WO-2016164640-A1 SYNTHETIC TLR4 AND TLR7 LIGANDS TO PREVENT, INHIBIT OR TREAT LIVER DISEASE CARSON DENNIS A (US) 2016-10-13 WO disclosed
US-20120003298-A1 METHODS FOR INDUCING AN IMMUNE RESPONSE TELORMEDIX SA (CH) 2012-01-05 US disclosed
US-20120003298-A1 METHODS FOR INDUCING AN IMMUNE RESPONSE TELORMEDIX SA (CH) 2012-01-05 US disclosed
WO-2011139348-A9 USES OF PHOSPHOLIPID CONJUGATES OF SYNTHETIC TLR7 AGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-22 WO disclosed
WO-2011139348-A2 USES OF PHOSPHOLIPID CONJUGATES OF SYNTHETIC TLR7 AGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 WO disclosed
WO-2011134669-A1 METHODS FOR INDUCING AN IMMUNE RESPONSE TELORMEDIX SA (CH) 2011-11-03 WO disclosed
WO-2011134668-A1 PHOSPHOLIPID DRUG ANALOGS TELORMEDIX SA (CH) 2011-11-03 WO disclosed
US-20100210598-A1 TOLL-LIKE RECEPTOR MODULATORS AND TREATMENT OF DISEASES REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2010-08-19 US disclosed
US-20100210598-A1 TOLL-LIKE RECEPTOR MODULATORS AND TREATMENT OF DISEASES REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2010-08-19 US disclosed
WO-2010093436-A2 TOLL-LIKE RECEPTOR MODULATORS AND TREATMENT OF DISEASES CARSON DENNIS A (US) 2010-08-19 WO disclosed
WO-2008115319-A2 CONJUGATES OF SYNTHETIC TLR AGONISTS AND USES THEREFOR REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-25 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 (6 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-20120003298-A1 METHODS FOR INDUCING AN IMMUNE RESPONSE CD4, IL4, CCR4 HCAR3 400/4885NNMT 2248/4885NPC1 4818/4885
US-20220152188-A1 TLR4-TLR7 LIGAND FORMULATIONS AS VACCINE ADJUVANTS TLR7, TLR4, TLR3 HCAR3 389/4885NNMT 3707/4885NPC1 1057/4885
US-20210038742-A1 CONJUGATION OF TLR7 AGONIST TO NANO-MATERIALS ENHANCES THE AGONISTIC ACTIVITY TLR7, TLR9, TLR3 HCAR3 420/4885NNMT 3647/4885NPC1 593/4885
US-20210380546-A1 VACCINE ADJUVANT IFNG, TLR9, LY96 HCAR3 2673/4885NNMT 2631/4885NPC1 2272/4885
US-20100210598-A1 TOLL-LIKE RECEPTOR MODULATORS AND TREATMENT OF DISEASES TLR3, TLR1, TLR6 HCAR3 138/4885NNMT 478/4885NPC1 689/4885
US-20180110784-A1 SYNTHETIC TLR4 AND TLR7 LIGANDS TO PREVENT, INHIBIT OR TREAT LIVER DISEASE TLR4, TLR9, TLR1 HCAR3 129/4885NNMT 917/4885NPC1 518/4885

“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.