SCHEMBL6890044

SCHEMBL6890044

CNC1CCCN(C(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.43
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
IL1B P01584 1/20 0.34
HRH4 Q9H3N8 9/20 0.34
DOT1L Q8TEK3 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNK O75909 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
CDC42BPB Q9Y5S2 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL22169878 1.00 KAT2B (0.43) KAT2BDRD2DRD3IL1BHRH4
SCHEMBL2738326 1.00 KAT2B (0.43) KAT2BDRD2DRD3IL1BHRH4
SCHEMBL24037609 0.94 KAT2B (0.40) KAT2BHRH4HRH3
SCHEMBL24467174 0.87 KAT2B (0.36) KAT2BDRD2DRD3HRH3KDM4E
SCHEMBL2737372 0.87 HRH3 (0.39) HRH4HRH3
SCHEMBL2738327 0.87 HRH3 (0.39) HRH4HRH3
SCHEMBL13995044 0.87 HRH3 (0.39) HRH4HRH3
SCHEMBL20206017 0.84 KAT2B (0.33) KAT2BHRH4DOT1LROCK2ROCK1
SCHEMBL21423874 0.83 KAT2B (0.43) KAT2BDRD2DRD3IL1BCCNT1
SCHEMBL21100844 0.83 KAT2B (0.43) KAT2BDRD2DRD3IL1BCCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
WO-2023164057-A1 DI-CYCLOPROPYL BASED IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2023-08-31 WO disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-05-16 US disclosed
US-11548890-B1 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2023-01-10 US disclosed
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 US disclosed
US-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF RAPT THERAPEUTICS INC (US) 2021-10-14 US disclosed
WO-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed
US-9802915-B2 Indole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
US-20170158708-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-06-08 US disclosed
US-20170066740-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-03-09 US disclosed
EP-2501231-B1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-12-21 EP disclosed
US-8754220-B2 Quinolizidinone carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-06-17 US disclosed
US-8754220-B2 Quinolizidinone carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-06-17 US disclosed
US-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-09-13 US disclosed
US-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-09-13 US disclosed
WO-2011062853-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-05-26 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 (10 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-20170158708-A1 ANTIBACTERIAL COMPOUNDS ABCC1, SLC11A2, NQO2 KAT2B 1463/4885DRD2 3522/4885DRD3 2660/4885
US-11548890-B1 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 KAT2B 3660/4885DRD2 4869/4885DRD3 4827/4885
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 KAT2B 3168/4885DRD2 2030/4885DRD3 1366/4885
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 KAT2B 2808/4885DRD2 3425/4885DRD3 2216/4885
US-20170066740-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 KAT2B 1079/4885DRD2 1489/4885DRD3 1253/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 KAT2B 3660/4885DRD2 4869/4885DRD3 4827/4885
US-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF USP7, SENP7, USP8 KAT2B 1356/4885DRD2 4829/4885DRD3 4730/4885
US-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 KAT2B 957/4885DRD2 278/4885DRD3 493/4885
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF KDM1A, TET1, KDM3A KAT2B 527/4885DRD2 4168/4885DRD3 3818/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 KAT2B 1095/4885DRD2 4788/4885DRD3 4774/4885

“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.