SCHEMBL17186376

SCHEMBL17186376

Nc1nc2nc[nH]c2c(=O)n1CCN1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.41
▸ HTT P42858 3/20 0.39
▸ PNP P00491 2/20 0.39
▸ ADORA2A P29274 5/20 0.39
▸ PDE4A P27815 4/20 0.39
▸ PDE4B Q07343 4/20 0.39
▸ PDE4C Q08493 4/20 0.39
▸ PDE4D Q08499 4/20 0.39
▸ ADORA2B P29275 4/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ DPP4 P27487 1/20 0.37
▸ MAP3K5 Q99683 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ AKT2 P31751 1/20 0.37
▸ MPO P05164 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36

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 SCHEMBL18605583 0.99 TLR7 (0.40) TLR7HTTPNPADORA2APDE4A
SCHEMBL17186383 0.90 TLR9 (0.41) TLR7PNPADORA2APDE4APDE4B
Hydrochloric Acid SCHEMBL18605998 0.89 TLR9 (0.40) TLR7PNPADORA2APDE4APDE4B
SCHEMBL17186252 0.81 CDK2 (0.51) MAP3K5CCNB2CDK1CCNB1CCNA2
SCHEMBL3671339 0.81 DPP4 (0.44) PNPADORA2APDE4APDE4BPDE4C
SCHEMBL667797 0.81 PDE4A (0.60) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL27842808 0.81 PDE4A (0.53) PNPADORA2APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL17186345 0.80 CDK2 (0.50) MAP3K5CCNB2CDK1CCNB1CCNA2
SCHEMBL17186334 0.80 CDK2 (0.46) PNPADORA2APDE4APDE4BPDE4C
SCHEMBL17186421 0.79 CDK2 (0.43) PNPADORA2APDE4APDE4BPDE4C

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 TLR7 4630/4885HTT 399/4885PNP 292/4885

“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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