SCHEMBL983824

SCHEMBL983824

CCn1ncc2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
KDM4D Q6B0I6 1/20 0.41
HTR2C P28335 4/20 0.38
XDH P47989 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 0.38
HASPIN Q8TF76 1/20 0.38
MAT2A P31153 1/20 0.38
DYRK1A Q13627 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL9935772 0.81 KDM4E (0.50) KDM4EKDM4DGABRPGABRDGABRA1
SCHEMBL18926932 0.81 KDM4E (0.46) KDM4EKDM4DHTR2CHTR2AHTR2B
SCHEMBL12726146 0.80 KDM4E (0.45) KDM4EKDM4DGABRPGABRDGABRA1
SCHEMBL17114779 0.77 KDM4E (0.46) KDM4EKDM4DGABRPGABRDGABRA1
SCHEMBL30182171 0.77 KDM4E (0.46) KDM4EKDM4DRECQLRETKDR
SCHEMBL1695089 0.77 RECQL (0.60) KDM4ERECQLMEN1CYP1A2CYP3A4
SCHEMBL21089911 0.77 KDM4E (0.46) KDM4EKDM4DGABRPGABRDGABRA1
SCHEMBL4508432 0.77 KDM4E (0.50) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL1638688 0.77 SMN1; SMN2 (0.51) KDM4EXDHMEN1KMT2A
SCHEMBL13663047 0.76 PARP1 (0.47) KDM4EKDM4DGABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121730-A1 OXADIAZOLINE COMPOUNDS OR SALTS THEREOF, AGROHORTICULTURAL FUNGICIDES CONTAINING THE COMPOUNDS, AND METHODS OF USING THE SAME NIHON NOHYAKU CO., LTD. (JP) 2023-04-20 US disclosed
US-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-20 US disclosed
EP-4126860-A1 MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2023-02-08 EP disclosed
US-20200339569-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2020-10-29 US disclosed
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-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
EP-2247294-A2 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION Basilea Pharmaceutica AG (CH) 2010-11-10 EP disclosed
EP-2245038-A1 NEW MACROLIDES AND THEIR USE Basilea Pharmaceutica AG (CH) 2010-11-03 EP 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
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 (7 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-20200339569-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 KDM4E 223/4885KDM4D 324/4885HTR2C 3186/4885
US-20110053876-A1 MACROLIDES AND THEIR USE PDE4A, PDE12, PDE4B KDM4E 401/4885KDM4D 212/4885HTR2C 3302/4885
US-20140142100-A1 NEW MACROLIDES AND THEIR USE PDE4A, PDE4B, PDE12 KDM4E 495/4885KDM4D 234/4885HTR2C 3310/4885
US-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF ENPP1, ENPP3, PPA1 KDM4E 3548/4885KDM4D 3661/4885HTR2C 4192/4885
US-20230121730-A1 OXADIAZOLINE COMPOUNDS OR SALTS THEREOF, AGROHORTICULTURAL FUNGICIDES CONTAINING THE COMPOUNDS, AND METHODS OF USING THE SAME CBR3, XDH, OXA1L KDM4E 798/4885KDM4D 419/4885HTR2C 2804/4885
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases HRH4, HRH2, IL4 KDM4E 3427/4885KDM4D 3843/4885HTR2C 1281/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 KDM4E 4433/4885KDM4D 4095/4885HTR2C 1753/4885

“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.