SCHEMBL2638945

SCHEMBL2638945

Nc1ncnc2c1ncn2CCCS

nearest known ligand 0.74

Predicted protein targets (top 14)

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
▸ ALDH1A1 P00352 1/20 0.57
▸ ADCY1 Q08828 1/20 0.57
▸ NSD2 O96028 1/20 0.55
▸ NSD3 Q9BZ95 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL5015473 0.95 ADORA2A (0.72) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL2638103 0.90 ADORA2A (0.73) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11222112 0.88 ADORA2A (0.80) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL67131 0.87 ADORA2A (0.74) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL26981114 0.87 ADORA2A (0.74) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL1532103 0.87 ADORA2A (0.74) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11008256 0.85 ADORA2A (0.72) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL14037129 0.85 ADORA2A (0.72) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL19631092 0.85 ADORA2A (0.72) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL4906617 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 — — EP claimed
JP-4603265-B2 — — 2010-12-22 — — JP claimed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 — — US claimed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 — — EP claimed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 — — US claimed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 — — WO claimed
EP-2678349-B1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2016-01-13 — — EP disclosed
US-9139609-B2 C-4″ position substituted macrolide derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-22 — — US disclosed
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 — — EP disclosed
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-13 — — US disclosed
EP-2678349-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-01 — — EP disclosed
WO-2012115256-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 — — WO disclosed
CN-101289483-B Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG 2012-06-20 — — 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 (3 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-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A ADORA2A 4653/4885ADORA1 3267/4885ADORA2B 4756/4885
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 ADORA2A 4741/4885ADORA1 4768/4885ADORA2B 4601/4885
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.

Send feedback