SCHEMBL4697155

SCHEMBL4697155

NNC(N)=NCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.67
GRIN1 Q05586 6/20 0.67
SIGMAR1 Q99720 3/20 0.67
GRIN2D O15399 2/20 0.67
GRIN3B O60391 2/20 0.67
GRIN2A Q12879 2/20 0.67
GRIN2C Q14957 2/20 0.67
GRIN3A Q8TCU5 2/20 0.67
NOS2 P35228 1/20 0.57
SCN2A Q99250 1/20 0.51
NOS1 P29475 1/20 0.50
TPH1 P17752 1/20 0.46
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44

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
Iodide SCHEMBL28653084 0.98 GRIN2B (0.65) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL9618307 0.83 GRIN2B (0.67) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL5586439 0.82 GRIN2B (0.65) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL16702044 0.82 GRIN2B (0.65) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL28128817 0.80 GRIN2B (0.62) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL1275831 0.80 GRIN2B (1.00) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL11304571 0.79 GRIN1 (0.43) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL18690743 0.79 SCN2A (0.63) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL9633313 0.79 GRIN2B (0.61) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL3692033 0.79 GRIN2B (0.61) GRIN2BGRIN1SIGMAR1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253518-A1 KINASE INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2021-08-19 US disclosed
US-20200165194-A1 ADDITIVE COMPOSITION FOR CULTURE MEDIUM, ADDITIVE COMPOUND FOR CULTURE MEDIUM, AND METHOD FOR CULTURE OF CELLS OR TISSUE USING SAME NISSAN CHEMICAL CORPORATION (JP) 2020-05-28 US disclosed
US-10544103-B2 5-HT2 antagonists ANAMAR AB (SE) 2020-01-28 US disclosed
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP disclosed
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US disclosed
US-20040019094-A1 Compounds acting as melanocortin receptor ligands HPF IP HOLDING S.A. (LU) 2004-01-29 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 (4 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-20040019094-A1 Compounds acting as melanocortin receptor ligands MC1R, MC3R, MC5R GRIN2B 554/4885GRIN1 419/4885SIGMAR1 160/4885
US-20210253518-A1 KINASE INHIBITOR LATS2, LATS1, MAP3K6 GRIN2B 2508/4885GRIN1 1437/4885SIGMAR1 3529/4885
US-20200165194-A1 ADDITIVE COMPOSITION FOR CULTURE MEDIUM, ADDITIVE COMPOUND FOR CULTURE MEDIUM, AND METHOD FOR CULTURE OF CELLS OR TISSUE USING SAME NEFM, FGF2, FGF1 GRIN2B 1119/4885GRIN1 1216/4885SIGMAR1 3242/4885
US-10544103-B2 5-HT2 antagonists HTR2B, HTR2C, HTR2A GRIN2B 136/4885GRIN1 639/4885SIGMAR1 85/4885

“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.