SCHEMBL1532103

SCHEMBL1532103

Nc1ncnc2c1ncn2CCCCl

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.74
▸ ADORA1 P30542 4/20 0.69
▸ ADORA2B P29275 1/20 0.69
▸ PI4KA P42356 3/20 0.63
▸ PI4K2B Q8TCG2 3/20 0.63
▸ PI4K2A Q9BTU6 3/20 0.63
▸ PI4KB Q9UBF8 3/20 0.63
▸ ADCY5 O95622 4/20 0.62
▸ NSD2 O96028 2/20 0.58
▸ NSD3 Q9BZ95 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.57
▸ ADCY1 Q08828 1/20 0.57

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
SCHEMBL20445820 0.95 ADORA2A (0.72) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL3394729 0.92 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11222112 0.88 ADORA2A (0.80) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL2638945 0.87 ADORA2A (0.74) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL26981114 0.87 ADORA2A (0.74) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL67131 0.87 ADORA2A (0.74) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL1635576 0.85 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL19631092 0.85 ADORA2A (0.72) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL5015473 0.85 ADORA2A (0.72) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL14037129 0.85 ADORA2A (0.72) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 — — US disclosed
EP-3355888-B1 HEMI-SYNTHETIC TRILOBINE ANALOGS FOR USE AS A DRUG PF MEDICAMENT (FR) 2022-03-09 — — EP disclosed
EP-3355888-B1 HEMI-SYNTHETIC TRILOBINE ANALOGS FOR USE AS A DRUG PF MEDICAMENT (FR) 2022-03-09 — — EP disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 — — US disclosed
US-10544156-B2 Hemi-synthetic trilobine analogs for use as a drug PIERRE FABRE MEDICAMENT (FR) 2020-01-28 — — US disclosed
US-10544156-B2 Hemi-synthetic trilobine analogs for use as a drug PIERRE FABRE MEDICAMENT (FR) 2020-01-28 — — US disclosed
EP-3355888-A1 HEMI-SYNTHETIC TRILOBINE ANALOGS FOR USE AS A DRUG Pierre Fabre Medicament (FR) 2018-08-08 — — EP disclosed
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 — — EP disclosed
US-8557182-B2 Site selectively tagged and templated molecularly imprinted polymers for sensor applications THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2013-10-15 — — US disclosed
US-8518885-B2 Heterocyclic peptide ketoamides GEORGIA TECH RESEARCH CORPORATION (US) 2013-08-27 — — US disclosed
US-20050227258-A1 Site selectively tagged and templated molecularly imprinted polymers for sensor applications NATIONAL SCIENCE FOUNDATION 2005-10-13 — — US disclosed
WO-2005056613-A2 SITE SELECTIVELY TAGGED AND TEMPLATED MOLECULARLY IMPRINTED POLYMERS FOR SENSOR APPLICATIONS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2005-06-23 — — WO disclosed
CN-1630661-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2005-06-22 — — CN disclosed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 — — EP disclosed
US-6740642-B2 ACTIVE AGAINST GRAM POSITIVE PATHOGENS SUCH AS STAPHYLOCOCCUS AUREUS, STREPTOCOCCUS PNEUMONIAE, GRAM NEGATIVE STRAINS SUCH AS HAEMOPHILUS INFLUENZAE; IMPROVED STABILITY BASILEA PARMACEUTICA AG (CH) 2004-05-25 — — US disclosed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 — — US disclosed
US-20030199459-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2003-10-23 — — US disclosed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 — — WO disclosed
EP-1313751-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2003-05-28 — — EP disclosed
WO-2002016380-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2002-02-28 — — 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 (5 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-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA ADORA2A 3376/4885ADORA1 4502/4885ADORA2B 4481/4885
US-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A ADORA2A 4653/4885ADORA1 3267/4885ADORA2B 4756/4885
US-10544156-B2 Hemi-synthetic trilobine analogs for use as a drug DNMT1, DNMT3B, DNMT3L ADORA2A 3139/4885ADORA1 3814/4885ADORA2B 2787/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA ADORA2A 3376/4885ADORA1 4502/4885ADORA2B 4481/4885
US-20030199459-A1 Macrolides with antibacterial activity MRPL21, MRPS22, MRPL12 ADORA2A 4404/4885ADORA1 3037/4885ADORA2B 4398/4885

“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.

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