SCHEMBL17186383

SCHEMBL17186383

Nc1nc2nc[nH]c2c(=O)n1CCN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 2/20 0.41
▸ PIK3CA P42336 4/20 0.39
▸ PIK3CG P48736 4/20 0.39
▸ GAA P10253 1/20 0.39
▸ CHEK1 O14757 2/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PAK1 Q13153 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3R2 O00459 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.38
▸ MTOR P42345 3/20 0.38
▸ PNP P00491 1/20 0.38
▸ PDE4A P27815 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ PDE4B Q07343 1/20 0.37

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
Hydrochloric Acid SCHEMBL18605998 0.99 TLR9 (0.40) TLR9PIK3CAPIK3CGGAACHEK1
SCHEMBL17186376 0.90 TLR7 (0.41) TLR7PNPPDE4AADORA2AADORA2B
Hydrochloric Acid SCHEMBL18605583 0.89 TLR7 (0.40) TLR7PNPPDE4AADORA2AADORA2B
SCHEMBL17186380 0.80 GAA (0.39) TLR9GAAALDH1A1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL18605997 0.79 GAA (0.39) TLR9GAAALDH1A1TSHRSMN1; SMN2
SCHEMBL3671339 0.79 DPP4 (0.44) PDPK1PNPPDE4AADORA2AADORA2B
SCHEMBL667797 0.79 PDE4A (0.60) PDE4AADORA2AADORA2BPDE4BPDE4C
SCHEMBL27842808 0.79 PDE4A (0.53) PDPK1PNPPDE4AADORA2AADORA2B
SCHEMBL3657014 0.78 CHEK1 (0.42) PIK3CAPIK3CGCHEK1PDPK1MAPK1
SCHEMBL17186421 0.77 CDK2 (0.43) PNPPDE4AADORA2AADORA2BPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 — — US claimed
EP-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 — — EP claimed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 — — WO claimed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 — — EP disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 — — US disclosed
EP-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 — — EP disclosed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 — — 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 (1 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-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 TLR9 4014/4885PIK3CA 900/4885PIK3CG 728/4885

“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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