SCHEMBL802342

SCHEMBL802342

CC(C)C1=NCc2ncccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
PTPRC P08575 2/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
PTPN13 Q12923 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
ABL1 P00519 1/20 0.31
PLCG1 P19174 1/20 0.31
CES1 P23141 1/20 0.31
PAX8 Q06710 1/20 0.31
RIN1 Q13671 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 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
SCHEMBL19901467 0.76 PTPRC (0.43) PDK2PTPRCCTSLCTSSPTPN13
SCHEMBL19901476 0.73 PTPRC (0.43) PDK2PTPRCCTSLCTSSPTPN13
SCHEMBL12902152 0.71 TSHR (0.48) CES1CYP3A4CYP2D6TSHRCHRM2
SCHEMBL7633795 0.71 TSHR (0.48) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL801424 0.70
SCHEMBL19901472 0.68 PTPN1 (0.36) PTPRCTDP1TDP2PLCG1CES1
SCHEMBL28824497 0.67 TRIM24 (0.36) PTPRCCTSLCTSSPTPN13TDP1
SCHEMBL16550314 0.67 CYP11B2 (0.36) PDK2TDP1TDP2NSD2ABL1
SCHEMBL14339846 0.67 PDK2 (0.36) PDK2PTPRCCTSLCTSSPTPN13
SCHEMBL14788351 0.66 PTPRC (0.35) PDK2PTPRCCTSLCTSSPTPN13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20180002333-A1 ETHYNYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-01-04 US disclosed
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-05-26 US disclosed
US-9278944-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-03-08 US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2014-01-09 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 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-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 PDK2 3737/4885PTPRC 3354/4885CTSL 880/4885
US-20180002333-A1 ETHYNYL DERIVATIVES SNCA, DRD2, NLN PDK2 35/4885PTPRC 2077/4885CTSL 2766/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 PDK2 1298/4885PTPRC 543/4885CTSL 4586/4885
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 PDK2 3737/4885PTPRC 3354/4885CTSL 880/4885
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 PDK2 3426/4885PTPRC 1620/4885CTSL 4045/4885
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 PDK2 3383/4885PTPRC 1533/4885CTSL 4066/4885

“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.