SCHEMBL5649078

SCHEMBL5649078

O=C(O)NC[C@H]1CCCNC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.51
▸ CPN1 P15169 2/20 0.49
▸ CPB2 Q96IY4 2/20 0.49
▸ PBK Q96KB5 5/20 0.46
▸ SLC6A1 P30531 4/20 0.46
▸ SLC6A11 P48066 3/20 0.46
▸ SLC6A13 Q9NSD5 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ EPHX1 P07099 1/20 0.44
▸ GABRA5 P31644 2/20 0.44
▸ GABRB2 P47870 2/20 0.44
▸ SLC6A12 P48065 2/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ GABRR1 P24046 1/20 0.44
▸ GABRA4 P48169 1/20 0.44
▸ CHEK1 O14757 2/20 0.44
▸ CHRM2 P08172 1/20 0.42

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
SCHEMBL2768724 1.00 CYP2D6 (0.51) CYP2D6CPN1CPB2PBKSLC6A1
SCHEMBL477374 1.00 CYP2D6 (0.51) CYP2D6CPN1CPB2PBKSLC6A1
Hydrochloric Acid SCHEMBL4014839 0.98 CYP2D6 (0.50) CYP2D6CPN1CPB2PBKSLC6A1
Hydrochloric Acid SCHEMBL4014842 0.98 CYP2D6 (0.50) CYP2D6CPN1CPB2PBKSLC6A1
Hydrochloric Acid SCHEMBL4020092 0.98 CYP2D6 (0.50) CYP2D6CPN1CPB2PBKSLC6A1
Oxalic Acid SCHEMBL4020925 0.96 CYP2D6 (0.49) CYP2D6CPN1CPB2PBKSLC6A1
Oxalic Acid SCHEMBL4020910 0.96 CYP2D6 (0.49) CYP2D6CPN1CPB2PBKSLC6A1
SCHEMBL2836599 0.89 SLC6A1 (0.57) CYP2D6CPN1CPB2SLC6A1SLC6A11
SCHEMBL856745 0.89 SLC6A1 (0.57) CYP2D6CPN1CPB2SLC6A1SLC6A11
SCHEMBL2832801 0.89 SLC6A1 (0.57) CYP2D6CPN1CPB2SLC6A1SLC6A11

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
US-11851434-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as ret kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-12-26 — — US disclosed
EP-3571203-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 — — EP disclosed
US-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 — — US disclosed
WO-2022253309-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND APPLICATION THEREOF 首药控股(北京)股份有限公司 2022-12-08 — — WO disclosed
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 — — US disclosed
EP-3911644-A1 ANTIMICROBIAL COMPOUNDS AND METHODS Curza Global LLC (US) 2021-11-24 — — EP disclosed
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-11-09 — — US disclosed
WO-2020150385-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 — — WO disclosed
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC 2020-02-20 — — US disclosed
WO-2018136661-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-07-26 — — WO disclosed
CN-104379560-A Benzamide derivative CHUGAI PHARMACEUTICAL CO LTD 2015-02-25 — — CN disclosed
CN-103987707-A Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use HOFFMANN LA ROCHE 2014-08-13 — — CN disclosed
CN-102933572-A Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use HOFFMANN LA ROCHE 2013-02-13 — — CN disclosed
CN-101068794-B Quinazolines useful as modulators of ion channels VERTEX PHARMA 2012-12-19 — — CN disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 — — US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 — — 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 (6 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-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 CYP2D6 3470/4885CPN1 4056/4885CPB2 3533/4885
US-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 CYP2D6 1521/4885CPN1 515/4885CPB2 2807/4885
US-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 CYP2D6 1401/4885CPN1 4091/4885CPB2 3405/4885
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 CYP2D6 3470/4885CPN1 4056/4885CPB2 3533/4885
US-11851434-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as ret kinase inhibitors RET, BRAF, ROR1 CYP2D6 3470/4885CPN1 4056/4885CPB2 3533/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 CYP2D6 3420/4885CPN1 4077/4885CPB2 3506/4885

“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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