SCHEMBL19002480

SCHEMBL19002480

Cn1c(-c2cccc(Br)c2)cnc1NCc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 15/20 0.79
ALDH1A1 P00352 8/20 0.79
KDM4E B2RXH2 7/20 0.79
TP53 P04637 5/20 0.79
MAPT P10636 3/20 0.79
KMT2A Q03164 3/20 0.71
MEN1 O00255 2/20 0.71
L3MBTL1 Q9Y468 3/20 0.64
ALOX15 P16050 2/20 0.64
HSD17B10 Q99714 2/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
POLB P06746 1/20 0.60
CYP1A2 P05177 4/20 0.59
CYP2D6 P10635 4/20 0.59
CYP2C9 P11712 4/20 0.59
CYP2C19 P33261 4/20 0.59
CYP3A4 P08684 3/20 0.59
THRB P10828 1/20 0.58
HPGD P15428 3/20 0.57

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
SCHEMBL24367734 0.78 GAA (0.72) GAAALDH1A1KDM4ETP53MAPT
SCHEMBL7216645 0.78 GAA (0.82) GAAALDH1A1KDM4ETP53MAPT
SCHEMBL7217592 0.78 GAA (0.90) GAAALDH1A1KDM4ETP53MAPT
SCHEMBL7128738 0.72 MAPT (0.51) GAAALDH1A1KDM4ETP53MAPT
SCHEMBL2282701 0.72 GAA (0.59) GAAALDH1A1KDM4ETP53MAPT
SCHEMBL7222175 0.69 GAA (0.62) GAAALDH1A1KDM4ETP53MAPT
SCHEMBL2651675 0.68 GABRG2 (1.00) GAAALDH1A1KDM4ETP53MAPT
SCHEMBL12411882 0.67 GAA (0.59) GAAALDH1A1KDM4ETP53MAPT
SCHEMBL12376775 0.66 GAA (0.58) GAAALDH1A1KDM4ETP53MAPT
SCHEMBL16332351 0.66 GAA (0.54) GAAALDH1A1KDM4ETP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US 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-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 GAA 2713/4885ALDH1A1 2765/4885KDM4E 3392/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 GAA 2713/4885ALDH1A1 2765/4885KDM4E 3392/4885

“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.