SCHEMBL17186281

SCHEMBL17186281

Nc1nc2[nH]cnc2c(=O)n1CCc1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA2B P29275 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ RGS12 O14924 2/20 0.35
▸ USP2 O75604 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.34
▸ ABCC1 P33527 5/20 0.34
▸ PNP P00491 1/20 0.33
▸ GPR18 Q14330 1/20 0.33
▸ QPCTL Q9NXS2 1/20 0.33
▸ MPO P05164 1/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ TLR7 Q9NYK1 1/20 0.32

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 SCHEMBL17186586 0.99 DAO (0.39) DAOADORA3ADORA2BKDM4EMEN1
SCHEMBL17186356 0.88 PNP (0.39) USP2PNPGPR18MPOCYP3A4
Hydrochloric Acid SCHEMBL17186369 0.87 PNP (0.39) USP2PNPGPR18MPOCYP3A4
SCHEMBL17186294 0.87 ADORA3 (0.40) DAOADORA3ADORA2BKDM4EMEN1
Hydrochloric Acid SCHEMBL18605670 0.86 ADORA3 (0.39) DAOADORA3ADORA2BKDM4EMEN1
SCHEMBL17186428 0.85 CASR (0.42) DAOADORA3ADORA2BKDM4EMEN1
Hydrochloric Acid SCHEMBL17186534 0.84 CASR (0.41) DAOADORA3ADORA2BKDM4EMEN1
SCHEMBL17186475 0.84 MAPT (0.41) ADORA3ADORA2BKDM4EMEN1RGS12
SCHEMBL17186218 0.84 KMT2A (0.41) DAOADORA3ADORA2BKMT2APNP
Hydrochloric Acid SCHEMBL17186224 0.83 MAPT (0.40) ADORA3ADORA2BKDM4EMEN1RGS12

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 DAO 2521/4885ADORA3 1244/4885ADORA2B 1776/4885

“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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