SCHEMBL22206946

SCHEMBL22206946

COc1ccc(Cn2cc3c(=O)n(C4CC4)ccc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 1/20 0.46
▸ PDE1B Q01064 6/20 0.43
▸ PDE1C Q14123 6/20 0.43
▸ PDE1A P54750 5/20 0.43
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ MAT2A P31153 1/20 0.39
▸ CMA1 P23946 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL28427416 0.82 GSK3A (0.43) AADATPDE1BPDE1CPDE1AGSK3A
SCHEMBL22206944 0.72 CCNK (0.45) AADATGSK3AGSK3BMAT2ACMA1
SCHEMBL22216456 0.69 ALDH1A1 (0.44) AADATGSK3AGSK3BMAT2ACMA1
SCHEMBL3125465 0.68 KMT2A (0.53) AADATADORA3MAPTLMNATP53
SCHEMBL24484591 0.68 AADAT (0.47) AADATSIGMAR1NPC1RAB9A
SCHEMBL28804452 0.68 PTGS2 (0.48) AADATGSK3AGSK3BMAT2ACMA1
SCHEMBL15651728 0.68 AADAT (0.40) AADATPDE1BPDE1CPDE1AGSK3A
SCHEMBL3128338 0.68 PTGER4 (0.45) ADORA3MAPTKDM4ENPC1RAB9A
SCHEMBL15263566 0.67 MPI (0.46) MAPTSIGMAR1TP53KDM4ESMN1; SMN2
SCHEMBL27786369 0.67 KMT2A (0.43) AADATADORA3LMNANPC1RAB9A

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-12371432-B2 Haloallylamine compounds and application thereof TRANSTHERA SCIENCES (NANJING), INC. (CN) 2025-07-29 — — US disclosed
EP-3892621-B1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF TRANSTHERA SCIENCES NANJING INC (CN) 2024-09-18 — — EP disclosed
CN-111434662-B Haloallylamine compound and application thereof 药捷安康(南京)科技股份有限公司 2023-01-10 — — CN disclosed
US-20220081439-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF TransThera Sciences (Nanjing), Inc (CN) 2022-03-17 — — US disclosed
EP-3892621-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-10-13 — — EP disclosed
CN-111434662-A Haloallylamine compound and application thereof 南京药捷安康生物科技有限公司 2020-07-21 — — CN disclosed
WO-2020143763-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF 南京药捷安康生物科技有限公司 2020-07-16 — — 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 (2 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-12371432-B2 Haloallylamine compounds and application thereof ADRA1D, ADRA1A, VAPA AADAT 1523/4885PDE1B 1214/4885PDE1C 1566/4885
US-20220081439-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF ADRA1D, ADRA1A, VAPA AADAT 1523/4885PDE1B 1214/4885PDE1C 1566/4885

“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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