SCHEMBL4801904

SCHEMBL4801904

Nc1nc(N)nc(-c2cccc(-c3nc(N)nc(N)n3)c2)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.73
ADORA2A P29274 5/20 0.70
ADORA1 P30542 5/20 0.70
ADORA3 P0DMS8 2/20 0.70
ADORA2B P29275 2/20 0.70
POLB P06746 1/20 0.70
NPC1 O15118 3/20 0.57
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HRH4 Q9H3N8 2/20 0.45

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
SCHEMBL6980235 0.91 ADORA2A (0.72) RAB9AADORA2AADORA1ADORA3ADORA2B
SCHEMBL19851461 0.89 ADORA2A (0.69) RAB9AADORA2AADORA1ADORA3ADORA2B
SCHEMBL3421554 0.89 RAB9A (0.66) RAB9AADORA2AADORA1ADORA3ADORA2B
SCHEMBL18057705 0.87 ADORA2A (0.65) RAB9AADORA2AADORA1ADORA3ADORA2B
SCHEMBL18057707 0.85 ADORA2A (0.69) RAB9AADORA2AADORA1ADORA3ADORA2B
SCHEMBL9566496 0.85 RAB9A (0.61) RAB9AADORA2AADORA1ADORA3ADORA2B
SCHEMBL671052 0.85 RAB9A (1.00) RAB9AADORA2AADORA1ADORA3ADORA2B
SCHEMBL670606 0.85 RAB9A (0.61) RAB9AADORA2AADORA1ADORA3ADORA2B
SCHEMBL29803065 0.85 RAB9A (0.61) RAB9AADORA2AADORA1ADORA3ADORA2B
SCHEMBL27595066 0.85 RAB9A (0.61) RAB9AADORA2AADORA1ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4672083-A USING 4,6-DIAMINO-1,3,5-TRIAZIN-2-YL COMPOUND AS FORMALDEHYDE BINDING AGENT DEGUSSA AG (DE) 1987-06-09 US claimed
CN-116284634-A Preparation method of high-stability polymer used as anode material of lithium ion battery 安徽大学 2023-06-23 CN disclosed
US-8507546-B2 Use of inhibitors of scavenger receptor class proteins for the treatment of infectious diseases INSTITUTO DE MEDICINA MOLECULAR, FACULDADE DE MEDICINA DA UNIVERSIDADE DE LISBOA (PT) 2013-08-13 US disclosed
US-8507546-B2 Use of inhibitors of scavenger receptor class proteins for the treatment of infectious diseases INSTITUTO DE MEDICINA MOLECULAR, FACULDADE DE MEDICINA DA UNIVERSIDADE DE LISBOA (PT) 2013-08-13 US disclosed
US-20090324580-A1 Use of Inhibitors of Scavenger Receptor Class Proteins for the Treatment of Infectious Diseases CENIX BIOSCIENCE GMBH (DE) 2009-12-31 US disclosed
US-20090324580-A1 Use of Inhibitors of Scavenger Receptor Class Proteins for the Treatment of Infectious Diseases CENIX BIOSCIENCE GMBH (DE) 2009-12-31 US disclosed
US-7390847-B2 Polymer derivatives for the treatment of metals BASF SE (DE) 2008-06-24 US disclosed
US-20050121114-A1 Polymer derivatives for the treatment of metals BASF AKTIENGESELLSCHAFT (DE) 2005-06-09 US disclosed
EP-1470198-A2 POLYMER DERIVATIVES FOR THE TREATMENT OF METALS BASF AKTIENGESELLSCHAFT (DE) 2004-10-27 EP disclosed
WO-2003056061-A2 POLYMER DERIVATIVES FOR THE TREATMENT OF METALS BASF AKTIENGESELLSCHAFT (DE) 2003-07-10 WO disclosed
EP-0202530-B1 OXYMETHYLENE COPOLYMER MOULDING COMPOSITIONS HAVING A REDUCED EMISSION OF FORMALDEHYDE DURING THERMOPLASTIC PROCESSING Degussa Aktiengesellschaft (DE) 1990-09-12 EP disclosed
US-4672083-A USING 4,6-DIAMINO-1,3,5-TRIAZIN-2-YL COMPOUND AS FORMALDEHYDE BINDING AGENT DEGUSSA AG (DE) 1987-06-09 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 (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-20090324580-A1 Use of Inhibitors of Scavenger Receptor Class Proteins for the Treatment of Infectious Diseases SCARB1, MSR1, HAVCR2 RAB9A 1744/4885ADORA2A 1687/4885ADORA1 1474/4885

“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.