SCHEMBL22777982

SCHEMBL22777982

COCCc1cc(N)cc2[nH]ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR6 P50406 2/20 0.32
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
HTR1A P08908 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
HTR4 Q13639 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
BACE1 P56817 1/20 0.30
JAK2 O60674 1/20 0.30

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
SCHEMBL29714414 1.00 HTR2A (0.36) HTR2AMEN1KMT2APOLBMAPK1
SCHEMBL22778106 0.79 DUT (0.32)
SCHEMBL29714429 0.79 DUT (0.32)
SCHEMBL22777920 0.78 TOP2A (0.37) MEN1KMT2AMAPK1NPC1MAPT
SCHEMBL19329521 0.78 HTR6 (0.35) HTR2AHTR6HTR1AHTR1DHTR1B
SCHEMBL22778021 0.78 HTR1A (0.50) HTR2AHTR6CYP1A2HTR1AHTR1D
SCHEMBL29714369 0.78 HTR1A (0.50) HTR2AHTR6CYP1A2HTR1AHTR1D
SCHEMBL29714424 0.76 PKM (0.44) HTR2AMEN1KMT2APOLBMAPT
SCHEMBL22777948 0.76 PKM (0.44) HTR2AMEN1KMT2APOLBMAPT
SCHEMBL28046379 0.76 AHR (0.43) MEN1KMT2AMAPK1HTR1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 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 (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-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 HTR2A 2028/4885MEN1 2332/4885KMT2A 3713/4885

“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.