SCHEMBL986023

SCHEMBL986023

Nc1ncnc2[nH]c(NCc3cccnc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.56
▸ PI4KA P42356 2/20 0.55
▸ PI4K2B Q8TCG2 2/20 0.55
▸ PI4K2A Q9BTU6 2/20 0.55
▸ PI4KB Q9UBF8 2/20 0.55
▸ KDM4C Q9H3R0 1/20 0.51
▸ LTA4H P09960 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PDE9A O76083 3/20 0.45
▸ CYP1A2 P05177 3/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ HTT P42858 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ CYP3A4 P08684 2/20 0.43

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
SCHEMBL10870632 0.73 HDAC1 (0.49) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL10483507 0.73 MEN1 (0.57) CYP2C19KDM4CLTA4HMEN1KMT2A
SCHEMBL27708066 0.72 SLC28A2 (0.49) PI4KAPI4K2BPI4K2API4KBKDM4C
Niacinamide SCHEMBL8510801 0.72 EGFR (0.42) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL4025801 0.72 FBP1 (0.48) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL4019561 0.71 KDM4C (0.51) CYP2C19KDM4CLTA4HMEN1KMT2A
SCHEMBL4024671 0.71 SLC28A2 (0.51) KDM4CADORA3ADORA2AADORA2BADORA1
SCHEMBL4022673 0.71 FBP1 (0.48) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL4025797 0.71 FBP1 (0.48) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL30101022 0.70 PDE9A (0.54) PDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245038-B1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2018-11-07 — — EP 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-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
EP-2049556-B1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISEASES BASILEA PHARMACEUTICA AG (CH) 2013-07-03 — — EP disclosed
US-8445451-B2 Macrolides and uses of macrolides BASILEA PHARMACEUTICA AG (CH) 2013-05-21 — — US disclosed
US-8410065-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2013-04-02 — — US disclosed
US-20120277174-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2012-11-01 — — US disclosed
US-8173609-B2 Macrolides useful against inflammatory and allergic diseases BASILEA PHARMACEUTICA AG (CH) 2012-05-08 — — US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 — — 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
EP-2049556-A1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISSEASES Basilea Pharmaceutica AG (CH) 2009-04-22 — — EP 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 (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-20120277174-A1 NEW MACROLIDES AND THEIR USE PDE4A, PDE4B, PDE12 CYP2C19 149/4885PI4KA 330/4885PI4K2B 870/4885
US-20110053876-A1 MACROLIDES AND THEIR USE PDE4A, PDE12, PDE4B CYP2C19 167/4885PI4KA 418/4885PI4K2B 1145/4885
US-20140142100-A1 NEW MACROLIDES AND THEIR USE PDE4A, PDE4B, PDE12 CYP2C19 149/4885PI4KA 330/4885PI4K2B 870/4885
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases HRH4, HRH2, IL4 CYP2C19 1732/4885PI4KA 1520/4885PI4K2B 760/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 CYP2C19 212/4885PI4KA 3064/4885PI4K2B 3220/4885

“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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