SCHEMBL17777668

SCHEMBL17777668

CCCc1ccccc1NC(=N)NC(=N)N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ POLB P06746 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ PLA2G7 Q13093 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 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
SCHEMBL7009167 0.91 POLB (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7760876 0.90 LIPG (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4736488 0.88 LIPG (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28283706 0.87 MAPT (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10824116 0.87 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL27660578 0.86 ALDH1A1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11842742 0.85 GPR35 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11057008 0.85 POLB (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11052193 0.85 ALDH1A1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11663499 0.83 CACNA1C (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-11572341-B2 Biguanide compound and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2023-02-07 — — US disclosed
US-20200277255-A1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC. 2020-09-03 — — US disclosed
US-10626085-B2 Biguanide compound and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2020-04-21 — — US disclosed
US-20180044283-A1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2018-02-15 — — US disclosed
US-20180044283-A1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2018-02-15 — — US disclosed
WO-2016080810-A2 BIGUANIDE COMPOUND AND USE THEREOF 이뮤노메트테라퓨틱스 인코포레이티드 2016-05-26 — — 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 (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-10626085-B2 Biguanide compound and use thereof MKI67, GCG, GCKR GRIN2D 1427/4885GRIN3B 497/4885GRIN1 770/4885
US-20180044283-A1 BIGUANIDE COMPOUND AND USE THEREOF MKI67, GCG, GCKR GRIN2D 1427/4885GRIN3B 497/4885GRIN1 770/4885
US-11572341-B2 Biguanide compound and use thereof MKI67, GCG, GCKR GRIN2D 1427/4885GRIN3B 497/4885GRIN1 770/4885
US-20200277255-A1 BIGUANIDE COMPOUND AND USE THEREOF MKI67, GCG, GCKR GRIN2D 1427/4885GRIN3B 497/4885GRIN1 770/4885

“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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