SCHEMBL17186523

SCHEMBL17186523

Nc1nc2[nH]cnc2c(=O)n1Cc1ccc(O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRAP1 Q12931 6/20 0.40
▸ HSP90B1 P14625 5/20 0.40
▸ HSP90AA1 P07900 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TLR7 Q9NYK1 2/20 0.35
▸ HDAC6 Q9UBN7 3/20 0.34
▸ PNP P00491 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PCSK9 Q8NBP7 1/20 0.32
▸ MAOB P27338 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ CHRNA7 P36544 1/20 0.30

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 SCHEMBL17186363 0.99 TRAP1 (0.40) TRAP1HSP90B1HSP90AA1KMT2ATLR7
SCHEMBL17186377 0.87 TRAP1 (0.47) TRAP1HSP90B1HSP90AA1KMT2ATLR7
Hydrochloric Acid SCHEMBL17186448 0.86 TRAP1 (0.47) TRAP1HSP90B1HSP90AA1KMT2ATLR7
SCHEMBL1533589 0.84 KMT2A (0.50) KMT2APNPLMNAMEN1
SCHEMBL17186638 0.82 KMT2A (0.42) TRAP1HSP90B1HSP90AA1KMT2ATLR7
Hydrochloric Acid SCHEMBL18605984 0.81 KMT2A (0.41) TRAP1HSP90B1HSP90AA1KMT2ATLR7
SCHEMBL17186591 0.80 P2RX7 (0.39) —
Hydrochloric Acid SCHEMBL17186319 0.79 P2RX7 (0.38) —
SCHEMBL17186356 0.78 PNP (0.39) TRAP1TLR7PNP
SCHEMBL17186335 0.77 HSP90B1 (0.35) TRAP1HSP90B1HSP90AA1KMT2APNP

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 TRAP1 160/4885HSP90B1 924/4885HSP90AA1 1335/4885

“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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