SCHEMBL16129059

SCHEMBL16129059

N#CCc1cc(F)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KEAP1 Q14145 1/20 0.37
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
SLC6A4 P31645 3/20 0.34
MPO P05164 2/20 0.34
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM5 P41594 1/20 0.31
CSNK2A1 P68400 1/20 0.31

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
SCHEMBL28847253 0.84 ALDH1A1 (0.40) ALDH1A1KEAP1MAPTSLC6A4MPO
Ammonia Solution, Strong SCHEMBL28847195 0.82 ALDH1A1 (0.39) ALDH1A1KEAP1MAPTSLC6A4MPO
SCHEMBL1020440 0.79 PSEN1 (0.40) ALDH1A1SLC6A4MPOIDO1AGXT
SCHEMBL29618975 0.79 PSEN1 (0.40) ALDH1A1SLC6A4MPOIDO1AGXT
SCHEMBL27629431 0.78 MPO (0.40) ALDH1A1MAPTSLC6A4MPOIDO1
SCHEMBL7197602 0.76 ALDH1A1 (0.54) ALDH1A1KEAP1MAPTATP4AATP4B
SCHEMBL5642630 0.76 KCNH2 (0.39) ALDH1A1MAPTSLC6A4MPOSLC6A2
SCHEMBL957181 0.76 SLC6A4 (0.40) ALDH1A1MAPTSLC6A4MPOSLC6A2
SCHEMBL22904292 0.76 MAOA (0.41) SLC6A4MPO
SCHEMBL3067018 0.76 ESR1 (0.40) ALDH1A1MAPTSLC6A4MPOIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590932-B1 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY INC (US) 2023-05-03 EP disclosed
US-20210070715-A1 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE SUMITOMO PHARMA AMERICA, INC. 2021-03-11 US disclosed
US-10752594-B2 JAK1 and ALK2 inhibitors and methods for their use SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2020-08-25 US disclosed
US-20190119221-A1 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE SUMITOMO PHARMA AMERICA, INC. 2019-04-25 US disclosed
US-10202356-B2 JAK2 and ALK2 inhibitors and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2019-02-12 US disclosed
US-20160214944-A1 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE SUMITOMO PHARMA AMERICA, INC. 2016-07-28 US disclosed
US-20160214944-A1 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE SUMITOMO PHARMA AMERICA, INC. 2016-07-28 US disclosed
WO-2014151871-A9 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE TOLERO PHARMACEUTICALS, INC. (US) 2014-12-31 WO disclosed
WO-2014151871-A2 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE TOLERO PHARMACEUTICALS, INC. (US) 2014-09-25 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 (5 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-20210070715-A1 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE ALK, JAK2, JAK1 ALDH1A1 2484/4885KEAP1 1461/4885MAPT 1525/4885
US-20160214944-A1 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE ALK, JAK2, JAK1 ALDH1A1 2229/4885KEAP1 1793/4885MAPT 2340/4885
US-20190119221-A1 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE ALK, JAK2, JAK1 ALDH1A1 2484/4885KEAP1 1461/4885MAPT 1525/4885
US-10202356-B2 JAK2 and ALK2 inhibitors and methods for their use ALK, JAK2, JAK1 ALDH1A1 2484/4885KEAP1 1461/4885MAPT 1525/4885
US-10752594-B2 JAK1 and ALK2 inhibitors and methods for their use ALK, JAK1, JAK2 ALDH1A1 1644/4885KEAP1 2182/4885MAPT 1428/4885

“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.