SCHEMBL20522779

SCHEMBL20522779

[N-]=[N+]=Nc1ccc(C=O)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.42
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGS2 P35354 1/20 0.34
RAB9A P51151 1/20 0.34
CYP2A6 P11509 1/20 0.33
DAGLA Q9Y4D2 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 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
SCHEMBL22452406 0.83 TUBB4A (0.38) ALDH1A1KDM4EPTGS2RAB9ACYP2A6
SCHEMBL22604902 0.79 TUBB4A (0.41) SLC6A3ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL22604964 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EPTGS2RAB9ACYP2A6
SCHEMBL18970011 0.75 KDM4E (0.52) ALDH1A1KDM4EPTGS2RAB9ACYP2A6
SCHEMBL28057799 0.75 ALDH1A1 (0.37) ALDH1A1KDM4EPTGS2RAB9ACYP2A6
SCHEMBL22452273 0.75 TUBB4A (0.55) ALDH1A1KDM4EPTGS2RAB9ACYP2A6
SCHEMBL31414002 0.75 ALDH1A1 (0.56) ALDH1A1KDM4ERAB9ATUBB4ATUBB
SCHEMBL22604974 0.75 KIF11 (0.41) ALDH1A1KDM4EPTGS2RAB9ACYP2A6
SCHEMBL17490929 0.73 F2R (0.36) SLC6A3ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL13892816 0.73 ALDH5A1 (0.53) ALDH1A1KDM4EHPGDALDH5A1ABAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11617738-B2 6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2023-04-04 US disclosed
US-20210196684-A1 6-AMINO-2,4-DIHYDROPYRANO [2,3-C] PYRAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2021-07-01 US disclosed
US-10980781-B2 6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2021-04-20 US disclosed
US-20200078336-A1 6-AMINO-2,4-DIHYDROPYRANO [2,3-C] PYRAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2020-03-12 US disclosed
WO-2018183587-A1 6-AMINO-2,4-DIHYDROPYRANO [2,3-C] PYRAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2018-10-04 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 (4 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-20200078336-A1 6-AMINO-2,4-DIHYDROPYRANO [2,3-C] PYRAZOLES AND METHODS OF USE USP7, USP3, USP2 SLC6A3 4463/4885ALDH1A1 647/4885KDM4E 894/4885
US-20210196684-A1 6-AMINO-2,4-DIHYDROPYRANO [2,3-C] PYRAZOLES AND METHODS OF USE USP7, USP3, USP2 SLC6A3 4463/4885ALDH1A1 647/4885KDM4E 894/4885
US-10980781-B2 6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use USP7, USP3, USP2 SLC6A3 4463/4885ALDH1A1 647/4885KDM4E 894/4885
US-11617738-B2 6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use USP7, USP3, USP2 SLC6A3 4463/4885ALDH1A1 647/4885KDM4E 894/4885

“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.