SCHEMBL2916377

SCHEMBL2916377

CN1CCNC(C(N)=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ GLI1 P08151 1/20 0.34
▸ GRIN2D O15399 3/20 0.34
▸ GRIN3B O60391 3/20 0.34
▸ GRIN1 Q05586 3/20 0.34
▸ GRIN2A Q12879 3/20 0.34
▸ GRIN2B Q13224 3/20 0.34
▸ GRIN2C Q14957 3/20 0.34
▸ GRIN3A Q8TCU5 3/20 0.34
▸ THRB P10828 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ SCN9A Q15858 1/20 0.34

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
SCHEMBL14754502 1.00 CCR2 (0.39) CCR2KCNH2GLI1GRIN2DGRIN3B
SCHEMBL14754500 1.00 CCR2 (0.39) CCR2KCNH2GLI1GRIN2DGRIN3B
SCHEMBL2917825 0.89 GLI1 (0.36) CCR2KCNH2GLI1NOS3NOS1
SCHEMBL27322587 0.83 CCR2 (0.41) CCR2KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL2916230 0.82 GLI1 (0.37) GLI1NOS3NOS1NOS2
SCHEMBL13197229 0.82 CCR2 (0.40) CCR2KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL11927512 0.82 CCR2 (0.40) CCR2KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL12995468 0.82 MAPT (0.50) CCR2KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL19817503 0.82 MAPT (0.50) CCR2KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL2913058 0.82 MAPT (0.50) CCR2KCNH2GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 — — WO disclosed
WO-2022266015-A1 FUSED HETEROARYL COMPOUNDS USEFUL AS ANTICANCER AGENTS KUMQUAT BIOSCIENCES INC. (US) 2022-12-22 — — WO disclosed
EP-3193851-B1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-10-21 — — EP disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 — — US disclosed
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 — — WO disclosed
US-9828373-B2 2-amino-pyrido[2,3-D]pyrimidin-7(8H)-one derivatives as CDK inhibitors and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-11-28 — — US disclosed
US-20170298027-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2017-10-19 — — US disclosed
US-20170258782-A1 ALKYL LINKED QUINOLINYL MODULATORS OF RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-09-14 — — US disclosed
EP-2753606-B1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2017-07-05 — — EP disclosed
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-06-29 — — US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 — — EP disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 — — EP disclosed
US-7192949-B2 Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors MERCK & CO., INC. (US) 2007-03-20 — — US disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 — — EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 — — US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 — — US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 — — EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 — — EP disclosed
CN-1044117-C Inhibitors of HIV protease useful for the treatment of aids LILLY CO ELI (US) 1999-07-14 — — CN disclosed
CN-1094399-A Inhibitors of HIV protease as the treatment AIDS LILLY CO ELI (US) 1994-11-02 — — CN 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 CCR2 1765/4885KCNH2 2509/4885GLI1 1146/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 CCR2 1635/4885KCNH2 2295/4885GLI1 690/4885
US-20170258782-A1 ALKYL LINKED QUINOLINYL MODULATORS OF RORγt RORC, RORB, RORA CCR2 188/4885KCNH2 2566/4885GLI1 2029/4885
US-20170298027-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX3, CACNA1A, P2RX4 CCR2 2648/4885KCNH2 51/4885GLI1 3468/4885
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 CCR2 4676/4885KCNH2 22/4885GLI1 2881/4885
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB CCR2 259/4885KCNH2 3314/4885GLI1 1529/4885

“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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