SCHEMBL17186377

SCHEMBL17186377

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRAP1 Q12931 6/20 0.47
▸ HSP90B1 P14625 5/20 0.47
▸ HSP90AA1 P07900 3/20 0.47
▸ KMT2A Q03164 1/20 0.36
▸ PDE5A O76074 4/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ PNP P00491 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 SCHEMBL17186448 0.99 TRAP1 (0.47) TRAP1HSP90B1HSP90AA1KMT2APDE5A
SCHEMBL17186335 0.89 HSP90B1 (0.35) TRAP1HSP90B1HSP90AA1KMT2APKM
Hydrochloric Acid SCHEMBL17186217 0.88 HSP90B1 (0.35) TRAP1HSP90B1HSP90AA1KMT2APKM
SCHEMBL17186523 0.87 TRAP1 (0.40) TRAP1HSP90B1HSP90AA1KMT2AHDAC6
Hydrochloric Acid SCHEMBL17186363 0.86 TRAP1 (0.40) TRAP1HSP90B1HSP90AA1KMT2AHDAC6
SCHEMBL17186591 0.84 P2RX7 (0.39) KDM4C
SCHEMBL1533589 0.84 KMT2A (0.50) KMT2APNP
Hydrochloric Acid SCHEMBL17186319 0.83 P2RX7 (0.38) KDM4C
SCHEMBL17186522 0.82 TRAP1 (0.50) TRAP1HSP90B1HSP90AA1KMT2APDE5A
Hydrochloric Acid SCHEMBL18605833 0.81 TRAP1 (0.49) TRAP1HSP90B1HSP90AA1KMT2APDE5A

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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