SCHEMBL25898606

SCHEMBL25898606

C=C(NC)c1cc(C(F)(F)F)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
ADRB2 P07550 1/20 0.41
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DDR1 Q08345 1/20 0.39
KDR P35968 2/20 0.38
SYK P43405 2/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
MAPK13 O15264 1/20 0.38
JAK2 O60674 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
LYN P07948 1/20 0.38
RET P07949 1/20 0.38

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
SCHEMBL18422426 0.80 KDR (0.54) ALDH1A1GAAL3MBTL1DDR1KDR
SCHEMBL30989738 0.80 NOS3 (0.44) NOS3NOS2ADRB2MAPK1ALDH1A1
SCHEMBL30595870 0.80 KDR (0.54) ALDH1A1GAAL3MBTL1DDR1KDR
SCHEMBL18425035 0.80 NOS3 (0.44) NOS3NOS2ADRB2MAPK1ALDH1A1
SCHEMBL18422885 0.78 NOS3 (0.42) NOS3NOS2ADRB2MAPK1ALDH1A1
SCHEMBL18422887 0.78 NOS3 (0.42) NOS3NOS2ADRB2MAPK1ALDH1A1
SCHEMBL1991324 0.77 NOS3 (0.52) NOS3NOS2ADRB2MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL17111052 0.76 NOS3 (0.41) NOS3NOS2ADRB2MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL17111053 0.76 NOS3 (0.41) NOS3NOS2ADRB2MAPK1ALDH1A1
SCHEMBL18809093 0.75 UHRF1 (0.43) NOS3NOS2ALDH1A1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2023-07-27 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 (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-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES CYCS, CYP2E1, AHR NOS3 2530/4885NOS2 3021/4885ADRB2 1372/4885

“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.