SCHEMBL17186335

SCHEMBL17186335

Cc1ccc(Cn2c(N)nc3[nH]cnc3c2=O)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90B1 P14625 2/20 0.35
▸ TRAP1 Q12931 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ TNF P01375 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ PNP P00491 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RGS12 O14924 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ AURKA O14965 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PRKCG P05129 1/20 0.33

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 SCHEMBL17186217 0.99 HSP90B1 (0.35) HSP90B1TRAP1HSP90AA1TNFHTT
SCHEMBL17186591 0.89 P2RX7 (0.39) ROCK2
SCHEMBL17186541 0.89 LMNA (0.38) TNFHTTMAPTLMNAPARP1
SCHEMBL17186377 0.89 TRAP1 (0.47) HSP90B1TRAP1HSP90AA1PNPKMT2A
Hydrochloric Acid SCHEMBL17186448 0.88 TRAP1 (0.47) HSP90B1TRAP1HSP90AA1PNPKMT2A
Hydrochloric Acid SCHEMBL17186319 0.88 P2RX7 (0.38) ROCK2
Hydrochloric Acid SCHEMBL18605415 0.88 LMNA (0.37) TNFHTTMAPTLMNAPARP1
SCHEMBL6952177 0.86 MEN1 (0.41) HTTPOLBMAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL18606028 0.85 MEN1 (0.40) HTTPOLBMAPTLMNASMN1; SMN2
SCHEMBL3303803 0.83 PNP (0.44) POLBMAPTPNPKDM4EMEN1

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 HSP90B1 924/4885TRAP1 160/4885HSP90AA1 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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