SCHEMBL10328337

SCHEMBL10328337

Cn1cnc2cccnc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.50
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
IP6K1 Q92551 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SYK P43405 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
BRD4 O60885 1/20 0.38
USP7 Q93009 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 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
SCHEMBL1186947 0.78 KDM4E (0.38) ACVR1L3MBTL1BRD4USP7KDM4E
SCHEMBL30390462 0.78 KDM4E (0.38) ACVR1L3MBTL1BRD4USP7KDM4E
SCHEMBL26201352 0.78 POLB (0.36) ACVR1L3MBTL1ADORA3ADORA2AADORA1
SCHEMBL14867109 0.77 ACVR1 (0.35) ACVR1ADORA3ADORA2AADORA1USP7
SCHEMBL14867106 0.77 PDE4A (0.45) ACVR1PDE4APDE4BPDE4CPDE4D
SCHEMBL14604067 0.75 KDM4E (0.39) ACVR1PDE4APDE4BPDE4CPDE4D
SCHEMBL29723028 0.73 ACVR1 (0.61) ACVR1IP6K1L3MBTL1KDM4EPOLB
SCHEMBL122167 0.73 ACVR1 (0.61) ACVR1IP6K1L3MBTL1KDM4EPOLB
SCHEMBL10328047 0.73 SLC9A1 (0.44) L3MBTL1ADORA3ADORA2AADORA1MEN1
SCHEMBL21118047 0.73 COMT (0.35) ACVR1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3835290-B1 OXADIAZOLINE COMPOUND OR SALT THEREOF, AGRICULTURAL OR HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND USE METHOD THEREFOR NIHON NOHYAKU CO LTD (JP) 2023-09-06 EP disclosed
WO-2023088425-A1 15-PGDH INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-05-25 WO disclosed
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-20220386614-A1 OXADIAZOLINE COMPOUND OR SALTS THEREOF, AGRICULTURAL AND HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME NIHON NOHYAKU CO., LTD. (JP) 2022-12-08 US disclosed
EP-3835290-A1 OXADIAZOLINE COMPOUND OR SALT THEREOF, AGRICULTURAL OR HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND USE METHOD THEREFOR Nihon Nohyaku Co., Ltd. (JP) 2021-06-16 EP disclosed
WO-2017214359-A1 NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS VENENUM BIODESIGN LLC (US) 2017-12-14 WO disclosed
EP-2582668-B1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-01-13 EP disclosed
US-8471006-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2013-06-25 US disclosed
US-20130096118-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 US disclosed
US-20120277428-A1 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-8217169-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2012-07-10 US disclosed
US-20110028720-A1 New Coupling Agents for Peptide Synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-03 US disclosed
US-7812158-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2010-10-12 US disclosed
US-7632839-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-12-15 US disclosed
US-20080139586-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-06-12 US disclosed
US-20070112196-A1 New coupling agents for peptide synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-17 US 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-20120277428-A1 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS NGLY1, NPPA, VIP ACVR1 3382/4885PDE4A 2973/4885PDE4B 3219/4885
US-20220386614-A1 OXADIAZOLINE COMPOUND OR SALTS THEREOF, AGRICULTURAL AND HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME BROX, CYP51A1, TBCD ACVR1 2410/4885PDE4A 757/4885PDE4B 607/4885
US-20230121730-A1 OXADIAZOLINE COMPOUNDS OR SALTS THEREOF, AGROHORTICULTURAL FUNGICIDES CONTAINING THE COMPOUNDS, AND METHODS OF USING THE SAME CBR3, XDH, OXA1L ACVR1 1535/4885PDE4A 1388/4885PDE4B 973/4885
US-20070112196-A1 New coupling agents for peptide synthesis NGLY1, NPPA, VIP ACVR1 3134/4885PDE4A 3047/4885PDE4B 3192/4885
US-20130096118-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, PRKACA, CILK1 ACVR1 2544/4885PDE4A 610/4885PDE4B 643/4885
US-20110028720-A1 New Coupling Agents for Peptide Synthesis NGLY1, NPPA, VIP ACVR1 3382/4885PDE4A 2973/4885PDE4B 3219/4885
US-20080139586-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIFC1 ACVR1 4777/4885PDE4A 2238/4885PDE4B 2432/4885

“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.