SCHEMBL20046964

SCHEMBL20046964

CN1CCC2(CC1)CNC(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
PTPN11 Q06124 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
FPR2 P25090 1/20 0.31

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
SCHEMBL14377195 0.82 NEK2 (0.42) NEK2L3MBTL1KDM4EGLACHRM2
SCHEMBL2516568 0.80
SCHEMBL22783783 0.80 PTPN11 (0.34) PTPN11FPR2
SCHEMBL20111958 0.80 PTPN11 (0.34) PTPN11FPR2
SCHEMBL25060592 0.79 FPR2 (0.36) KDM4EPTPN11FPR2
SCHEMBL22256985 0.79 GRIN2D (0.36) PTPN11CHRM2FPR2
SCHEMBL20007912 0.79 CYP2D6 (0.36) KDM4EPTPN11FPR2
SCHEMBL24535256 0.78 USP2 (0.33) NEK2
SCHEMBL20640397 0.76
SCHEMBL1382368 0.76 POLB (0.32) PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515916-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2023-06-07 EP disclosed
US-20230125684-A1 Aryl Sulfonyl Compounds as CCR6 Inhibitors CHEMOCENTRYX, INC. 2023-04-27 US disclosed
WO-2023023534-A2 ARYL SULFONYL COMPOUNDS AS CCR6 INHIBITORS CHEMOCENTRYX, INC. (US) 2023-02-23 WO disclosed
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
US-20210040150-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS YICHANG HUMANWELL PHARMACEUTICALS CO., LTD. (CN) 2021-02-11 US disclosed
WO-2021026492-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS Humanwell Pharmaceutical US (US) 2021-02-11 WO disclosed
US-20200062760-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2020-02-27 US disclosed
US-20190307745-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2019-10-10 US disclosed
WO-2018067615-A1 COMPOUNDS, DEVICES, AND USES THEREOF SIGILON THERAPEUTICS, INC. (US) 2018-04-12 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 (5 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-20200062760-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPRJ, PTPRC NEK2 2583/4885L3MBTL1 3554/4885KDM4E 876/4885
US-20190307745-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN21, PTPN5, PTPN1 NEK2 936/4885L3MBTL1 2755/4885KDM4E 2017/4885
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPN21, PTPN22, PTPN5 NEK2 809/4885L3MBTL1 3477/4885KDM4E 2010/4885
US-20230125684-A1 Aryl Sulfonyl Compounds as CCR6 Inhibitors CCR6, CCR1, CCR3 NEK2 3842/4885L3MBTL1 706/4885KDM4E 3778/4885
US-20210040150-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS OPRK1, OPRL1, OPRD1 NEK2 4201/4885L3MBTL1 3421/4885KDM4E 3512/4885

“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.