SCHEMBL4403585

SCHEMBL4403585

Cc1cnc(N)c2ncn(C)c12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AHCY P23526 12/20 0.50
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
CDK1 P06493 1/20 0.40
IKBKB O14920 1/20 0.38
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
ADORA2B P29275 1/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 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
SCHEMBL21362201 0.81 AHCY (0.50) AHCYADORA2AADORA1NOS3NOS1
SCHEMBL15186166 0.79 AHCY (0.51) AHCYADORA2AADORA1CDK1IKBKB
SCHEMBL2770281 0.79 ADORA2A (0.46) AHCYADORA2AADORA1CDK1IKBKB
SCHEMBL21372043 0.77 PI4KA (0.51) AHCYADORA2AADORA1NOS3NOS1
SCHEMBL4794319 0.74 AHCY (0.40) AHCYADORA2AADORA1ADORA2BPI4KA
SCHEMBL4409861 0.74 PDE4A (0.33) AHCYADORA2AADORA1
SCHEMBL4794273 0.73 AHCY (0.39) AHCYADORA2AADORA1ADORA2BPI4KA
SCHEMBL4402905 0.73 ADORA2A (0.39) ADORA2AADORA1CDK1IKBKBADORA2B
SCHEMBL4790563 0.72 ALDH1A1 (0.39) AHCYADORA2AADORA1ADORA2BPI4KA
SCHEMBL4792327 0.72 AHCY (0.40) AHCYADORA2AADORA1ADORA2BPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765474-B1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER (US) 2022-06-15 EP disclosed
WO-2019175776-A1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER INC. (US) 2019-09-19 WO disclosed
EP-2464651-B1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2016-04-20 EP disclosed
US-8933073-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2015-01-13 US disclosed
US-8933073-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2015-01-13 US disclosed
US-8865662-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2014-10-21 US disclosed
US-8865662-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2014-10-21 US disclosed
US-20140142100-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2014-05-22 US disclosed
US-20140142100-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2014-05-22 US disclosed
EP-2247294-B1 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION BASILEA PHARMACEUTICA AG (CH) 2014-03-26 EP disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 US disclosed
WO-2011018510-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-02-17 WO disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 US disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 US disclosed
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases BASILEA PHARMACEUTICA AG (CH) 2010-05-13 US disclosed
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases BASILEA PHARMACEUTICA AG (CH) 2010-05-13 US disclosed
WO-2009106419-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2009-09-03 WO disclosed
WO-2009098320-A2 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-08-13 WO disclosed
WO-2008017696-A1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISSEASES BASILEA PHARMACEUTICA AG (CH) 2008-02-14 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 (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-20110053876-A1 MACROLIDES AND THEIR USE PDE4A, PDE12, PDE4B AHCY 2152/4885ADORA2A 2894/4885ADORA1 1579/4885
US-20140142100-A1 NEW MACROLIDES AND THEIR USE PDE4A, PDE4B, PDE12 AHCY 1892/4885ADORA2A 2439/4885ADORA1 1343/4885
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases HRH4, HRH2, IL4 AHCY 2761/4885ADORA2A 1843/4885ADORA1 789/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 AHCY 2868/4885ADORA2A 3693/4885ADORA1 2392/4885

“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.