SCHEMBL21097007

SCHEMBL21097007

CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCNCC4)cc3C2)c(O)cc1O

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 19/20 0.81
HSP90AB1 P08238 10/20 0.81
HSP90B1 P14625 1/20 0.81
HDAC8 Q9BY41 8/20 0.55
HDAC3 O15379 8/20 0.55
HDAC6 Q9UBN7 8/20 0.55
HDAC1 Q13547 7/20 0.55
HDAC4 P56524 4/20 0.52
HDAC7 Q8WUI4 4/20 0.52
HDAC2 Q92769 4/20 0.52
HDAC10 Q969S8 4/20 0.52
HDAC11 Q96DB2 4/20 0.52
HDAC9 Q9UKV0 4/20 0.52
HDAC5 Q9UQL6 4/20 0.52

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 SCHEMBL29974145 0.99 HSP90AA1 (0.80) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
Hydrochloric Acid SCHEMBL23673784 0.99 HSP90AA1 (0.80) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL30829342 0.91 HSP90AA1 (0.68) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
Onalespib SCHEMBL382780 0.90 HSP90AA1 (1.00) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
Onalespib SCHEMBL29351356 0.90 HSP90AA1 (1.00) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL384367 0.90 HSP90AA1 (0.85) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL30368762 0.89 HSP90AA1 (0.74) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL25317452 0.89 HSP90AA1 (0.74) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL1205611 0.89 HSP90AA1 (0.86) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
Onalespib SCHEMBL1205801 0.89 HSP90AA1 (0.98) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136614-A1 2,7-SUBSTITUTED PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND HAVING PROTEIN KINASE INHIBITORY ACTIVITY MAGICBULLETTHERAPEUTICS CO., LTD. (KR) 2025-05-01 US disclosed
EP-4442691-A1 2,7-SUBSTITUTED PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND HAVING PROTEIN KINASE INHIBITORY ACTIVITY Magicbullettherapeutics Co., Ltd. (KR) 2024-10-09 EP disclosed
CN-118613486-A 2, 7-Substituted pyrrolo [2,1-F ] [1,2,4] triazine compounds having protein kinase inhibitory activity 魔法弹丸治疗 2024-09-06 CN disclosed
US-20220184217-A1 HSP90-BINDING CONJUGATES AND FORMULATIONS THEREOF Fusion Pharmaceuticals Inc. (CA) 2022-06-16 US disclosed
US-20220031853-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF TVA (ABC), LLC 2022-02-03 US disclosed
WO-2021202830-A2 HSP90-BINDING CONJUGATES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2021-10-07 WO disclosed
US-20210145971-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF Fusion Pharmaceuticals Inc. (CA) 2021-05-20 US disclosed
US-20210000966-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF TVA (ABC), LLC 2021-01-07 US disclosed
WO-2020205948-A1 HSP90-BINDING CONJUGATES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2020-10-08 WO disclosed
WO-2019195384-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2019-10-10 WO disclosed
WO-2019118830-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2019-06-20 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 (5 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-20210000966-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885HSP90B1 3/4885
US-20250136614-A1 2,7-SUBSTITUTED PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND HAVING PROTEIN KINASE INHIBITORY ACTIVITY STK25, MAP3K15, MAP3K5 HSP90AA1 1399/4885HSP90AB1 1468/4885HSP90B1 2214/4885
US-20220184217-A1 HSP90-BINDING CONJUGATES AND FORMULATIONS THEREOF HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885HSP90B1 2/4885
US-20220031853-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885HSP90B1 3/4885
US-20210145971-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885HSP90B1 2/4885

“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.