SCHEMBL24360672

SCHEMBL24360672

C=C(C)c1nc(N)ccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
BACE1 P56817 3/20 0.35
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
BRCA1 P38398 1/20 0.32
CASP7 P55210 1/20 0.32
HBB P68871 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CFTR P13569 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 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
SCHEMBL15090987 0.76 NOS3 (0.34) KDM4EALDH1A1BACE1NOS3NOS1
SCHEMBL22063657 0.73 POLB (0.30)
SCHEMBL14108794 0.71 NOS3 (0.52) KDM4EALDH1A1KMT2ABACE1F2
SCHEMBL29937121 0.71 NOS3 (0.52) KDM4EALDH1A1KMT2ABACE1F2
SCHEMBL8094722 0.69 MCHR1 (0.43) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL26137569 0.69 GABRP (0.42) ALDH1A1F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL31491015 0.69 GABRP (0.50) KDM4EALDH1A1KMT2ABACE1F2
SCHEMBL11272404 0.69 KDM4E (0.46) KDM4EALDH1A1KMT2ABACE1NOS3
SCHEMBL15429603 0.68 KDM4E (0.42) KDM4EALDH1A1KMT2ABACE1F2
SCHEMBL22401216 0.68 NOS3 (0.33) KDM4EALDH1A1NOS3NOS1NOS2

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-20220127247-A1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION (GNF) 2022-04-28 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-20220127247-A1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE CFTR, P2RY1, P2RX5 KDM4E 3273/4885ALDH1A1 1455/4885KMT2A 3574/4885

“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.