SCHEMBL12622657

SCHEMBL12622657

CC(C)(C)c1cn2c(n1)COCC2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
P2RX7 Q99572 1/20 0.34
ERAP1 Q9NZ08 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.30

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
SCHEMBL7904107 0.77 KMT2A (0.35) P2RX7KMT2AKDM4EALDH1A1MAPT
SCHEMBL13424006 0.74 WDR5 (0.47) LMNAP2RX7KMT2AKDM4EALDH1A1
SCHEMBL10064767 0.73 LMNA (0.53) LMNAP2RX7KMT2AKDM4EALDH1A1
SCHEMBL21334010 0.73 AR (0.31) LMNA
SCHEMBL19965724 0.72 CXCR4 (0.32)
SCHEMBL22502994 0.72 KMT2A (0.33) KMT2AALDH1A1
SCHEMBL22330387 0.70 P2RX7 (0.36) LMNAP2RX7
SCHEMBL22040218 0.70
SCHEMBL22330361 0.69 MGLL (0.41) LMNAP2RX7
SCHEMBL25086261 0.69 P2RX7 (0.42) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203000-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-06-29 US disclosed
US-20230203000-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-06-29 US disclosed
US-20230054854-A1 COMBINATIONS RECURIUM IP HOLDINGS, LLC 2023-02-23 US disclosed
US-11566025-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-01-31 US disclosed
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
US-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-07 US disclosed
US-20220024939-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES RECURIUM IP HOLDINGS, LLC 2022-01-27 US disclosed
US-20210139482-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES RECURIUM IP HOLDINGS, LLC 2021-05-13 US disclosed
US-20200223845-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2020-07-16 US disclosed
US-10633378-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2020-04-28 US disclosed
US-9127004-B2 Nitrogen containing heterocyclic compounds WOCKHARDT LTD. (IN) 2015-09-08 US disclosed
US-9006230-B2 1,6-diazabicyclo [3,2,1] octan-7-one derivatives and their use in the treatment of bacterial infections WOCKHARDT LTD. (IN) 2015-04-14 US disclosed
US-20140288064-A1 Nitrogen containing heterocyclic compounds WOCKHARDT LIMITED (IN) 2014-09-25 US disclosed
US-20140213586-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-07-31 US disclosed
US-20140088068-A1 1,6-Diazabicyclo [3,2,1] octan-7-one derivatives and their use in the treatment of bacterial infections WOCKHARDT LIMITED (IN) 2014-03-27 US disclosed
US-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 US disclosed
US-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 US disclosed
US-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors WYETH (US) 2010-03-11 US disclosed
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 US disclosed
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 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 (14 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-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, APOB LMNA 2530/4885P2RX7 4698/4885ERAP1 1777/4885
US-20230203000-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, RNASE1 LMNA 2182/4885P2RX7 4735/4885ERAP1 1837/4885
US-11566025-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 LMNA 2214/4885P2RX7 1261/4885ERAP1 1304/4885
US-20140088068-A1 1,6-Diazabicyclo [3,2,1] octan-7-one derivatives and their use in the treatment of bacterial infections ODC1, AOC1, LPO LMNA 3030/4885P2RX7 851/4885ERAP1 3912/4885
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof MMP8, MMP26, MMP9 LMNA 1692/4885P2RX7 1591/4885ERAP1 2244/4885
US-20140213586-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 LMNA 2214/4885P2RX7 1261/4885ERAP1 1304/4885
US-20210139482-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES MKI67, BRCA1, CCNI LMNA 4209/4885P2RX7 2020/4885ERAP1 2930/4885
US-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors MGAM, CYP2C18, BCAT2 LMNA 251/4885P2RX7 3332/4885ERAP1 895/4885
US-20230014226-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK LMNA 1857/4885P2RX7 3574/4885ERAP1 3676/4885
US-20230054854-A1 COMBINATIONS WEE2, WEE1, BCL2 LMNA 2810/4885P2RX7 4490/4885ERAP1 1144/4885
US-20220024939-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES MKI67, BRCA1, CCNI LMNA 4209/4885P2RX7 2020/4885ERAP1 2930/4885
US-10633378-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 LMNA 2214/4885P2RX7 1261/4885ERAP1 1304/4885
US-20140288064-A1 Nitrogen containing heterocyclic compounds NISCH, NQO1, NNT LMNA 1613/4885P2RX7 1203/4885ERAP1 2830/4885
US-20200223845-A1 NOVEL VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, IRF3 LMNA 2549/4885P2RX7 1335/4885ERAP1 1432/4885

“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.