SCHEMBL17596379

SCHEMBL17596379

Cc1c(C=O)ccc2c1cc(C#N)n2CCc1ccc([N+](=O)[O-])nc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
HRH1 P35367 2/20 0.32
HTR6 P50406 2/20 0.32
BCHE P06276 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ACHE P22303 1/20 0.32
HRH2 P25021 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR1D P28221 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR1E P28566 1/20 0.32
HTR7 P34969 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL17595789 0.86 LMNA (0.43) LMNACYP19A1ALDH1A1MAPTKMT2A
SCHEMBL19295061 0.86 ALDH1A1 (0.36) LMNAALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL20259606 0.84 HRH1 (0.32) HRH1HTR6BCHEADRA2ADRD2
SCHEMBL20259682 0.82 HRH1 (0.38) LMNAHRH1HTR6ADRA2ADRD2
SCHEMBL30406055 0.76 ALDH1A1 (0.42) LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL17596607 0.75 GAA (0.37) LMNAALDH1A1MAPTKMT2A
SCHEMBL25422550 0.74 RAB9A (0.36) LMNAMAPT
SCHEMBL19300387 0.71
SCHEMBL18292162 0.71 MEN1 (0.42) GRIN1GRIN2BALDH1A1KMT2A
SCHEMBL19295058 0.71 KCNJ1 (0.42) ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49687-E1 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-10 US disclosed
US-RE49687-E1 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-10 US disclosed
US-10246464-B2 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-02 US disclosed
US-10246464-B2 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-02 US disclosed
WO-2018106818-A1 METHODS OF PROMOTING BETA CELL PROLIFERATION KURA ONCOLOGY, INC. (US) 2018-06-14 WO disclosed
US-20170247391-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF WELLSPRING BIOSCIENCES LLC 2017-08-31 US disclosed
US-20170247391-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF WELLSPRING BIOSCIENCES LLC 2017-08-31 US disclosed
WO-2016040330-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-03-17 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-10246464-B2 Thienopyrimidine and thienopyridine compounds and methods of use thereof MLLT1, MEN1, TERF2IP LMNA 2254/4885HRH1 1310/4885HTR6 2860/4885
US-20170247391-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MEN1, TERF2IP LMNA 2254/4885HRH1 1310/4885HTR6 2860/4885

“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.