SCHEMBL18779093

SCHEMBL18779093

COC(=O)c1ncc(C)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
S1PR4 O95977 1/20 0.42
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 2/20 0.37
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CSNK2A1 P68400 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL31279531 1.00 NPSR1 (0.47) NPSR1S1PR4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL26281242 0.86 NPSR1 (0.47) NPSR1S1PR4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4014560 0.84 NPSR1 (0.48) NPSR1S1PR4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL29585697 0.84 NPSR1 (0.48) NPSR1S1PR4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL5767143 0.83 NPSR1 (0.58) NPSR1S1PR4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL19785422 0.83 ALDH1A1 (0.51) NPSR1ALDH1A1L3MBTL1KDM4EMAPK1
SCHEMBL23981557 0.81 NPSR1 (0.45) NPSR1S1PR4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL17325904 0.81 NPSR1 (0.45) NPSR1S1PR4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL30630664 0.81 NPSR1 (0.45) NPSR1S1PR4ALDH1A1SMN1; SMN2L3MBTL1
Lithium Ion SCHEMBL31278740 0.80 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528788-B2 Pesticidally active benzene- and azine-amide compounds SYNGENTA CROP PROTECTION AG (CH) 2026-01-20 US disclosed
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2025-06-17 US disclosed
EP-4506035-A2 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-02-12 EP disclosed
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2024-09-10 US disclosed
EP-3768668-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2024-08-28 EP disclosed
CN-115279368-B Heteroaryl compounds 维瓦斯治疗公司 2024-05-24 CN disclosed
CN-117263942-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2023-12-22 CN disclosed
CN-112166110-B SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2023-08-11 CN disclosed
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF D. E. SHAW RESEARCH, LLC 2023-07-27 US disclosed
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF D. E. SHAW RESEARCH, LLC 2023-07-27 US disclosed
CN-112839933-A Pesticidally active benzene-amide and azine-amide compounds 先正达参股股份有限公司 2021-05-25 CN disclosed
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
EP-3768668-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2021-01-27 EP disclosed
CN-112166110-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2021-01-01 CN disclosed
WO-2020070049-A1 PESTICIDALLY ACTIVE BENZENE- AND AZINE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-09 WO disclosed
WO-2019183367-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed
US-20170369484-A1 IMINOTHIADIAZINE DIOXIDES BEARING AN AMINE-LINKED SUBSTITUENT AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-12-28 US disclosed
US-9732088-B2 C2-carbocyclic iminothiazine dioxides as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-20170114065-A1 C2-CARBOCYCLIC IMINOTHIAZINE DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-04-27 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-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 NPSR1 3152/4885S1PR4 1905/4885ALDH1A1 3280/4885
US-12528788-B2 Pesticidally active benzene- and azine-amide compounds CBR3, CBR1, DDT NPSR1 2402/4885S1PR4 2600/4885ALDH1A1 1002/4885
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 NPSR1 3152/4885S1PR4 1905/4885ALDH1A1 3280/4885
US-20170369484-A1 IMINOTHIADIAZINE DIOXIDES BEARING AN AMINE-LINKED SUBSTITUENT AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP NPSR1 2428/4885S1PR4 4062/4885ALDH1A1 295/4885
US-20170114065-A1 C2-CARBOCYCLIC IMINOTHIAZINE DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE2, BACE1, APP NPSR1 2308/4885S1PR4 3722/4885ALDH1A1 1120/4885
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPRJ, PTPRC NPSR1 3743/4885S1PR4 2226/4885ALDH1A1 3858/4885
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 NPSR1 3152/4885S1PR4 1905/4885ALDH1A1 3280/4885

“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.