SCHEMBL5210514

SCHEMBL5210514

CN1CCN(c2ccc(OB(O)O)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ PTK2B Q14289 2/20 0.52
▸ ADRA2C P18825 1/20 0.52
▸ GFER P55789 1/20 0.52
▸ ESR2 Q92731 1/20 0.52
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ CHKA P35790 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SIRT6 Q8N6T7 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MEN1 O00255 1/20 0.44

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
SCHEMBL29157642 0.92 KMT2A (0.45) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL5210507 0.85 GAA (0.55) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL7684964 0.83 HDAC6 (0.46) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL5209026 0.81 KCNH2 (0.47) GAAMAPTALDH1A1KMT2AKDM4E
Hydrochloric Acid SCHEMBL30753410 0.81 ALDH1A1 (0.47) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL29157643 0.81 MAPT (0.56) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL27818699 0.81 ADRA2C (0.56) MAPTKMT2AADRA2CNPC1HTR3A
SCHEMBL3016819 0.80 ALDH1A1 (0.47) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL31142010 0.79 ADRB1 (0.61) ALDH1A1KDM4EHTR3ALMNASIRT6
SCHEMBL31142009 0.79 ADRB1 (0.61) ALDH1A1KDM4EHTR3ALMNASIRT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119390691-A Heteroindole derivative and synthetic method and application thereof 江西省肿瘤医院(江西省第二人民医院、江西省癌症中心) 2025-02-07 — — CN disclosed
CN-115746023-B Heterocyclic macrocyclic compound containing indazole structure as protein kinase inhibitor and preparation method thereof 复旦大学 2024-08-09 — — CN disclosed
US-11608334-B2 Pyrrolo-aromatic heterocyclic compound, preparation method therefor, and medical use thereof The National Institutes of Pharmaceutical R&D Co., Ltd. (CN) 2023-03-21 — — US disclosed
CN-115819417-A Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer 因赛特公司 2023-03-21 — — CN disclosed
CN-109923114-B Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer 因赛特公司 2022-11-01 — — CN disclosed
CN-106928198-B Sulfonamide derivative and preparation method and application thereof 成都先导药物开发股份有限公司 2020-07-28 — — CN disclosed
CN-109923114-A Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer 因赛特公司 2019-06-21 — — CN disclosed
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 — — EP disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 — — US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 — — US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 — — US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 — — US disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 — — EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 — — EP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 — — WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 — — 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-11608334-B2 Pyrrolo-aromatic heterocyclic compound, preparation method therefor, and medical use thereof BTK, SYK, ITK GAA 2905/4885MAPT 3939/4885ALDH1A1 3566/4885

“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.

Send feedback