SCHEMBL24409342

SCHEMBL24409342

O=Cc1ccc(-n2cnc(F)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.49
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.33
CASP6 P55212 1/20 0.33
KDM4E B2RXH2 4/20 0.33
CPB2 Q96IY4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2A6 P11509 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH5A1 P51649 1/20 0.31
ABAT P80404 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
CYP11B1 P15538 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
SCHEMBL30630893 1.00 KCNJ1 (0.49) KCNJ1ALDH1A1L3MBTL1POLBCASP6
SCHEMBL20168079 0.81 KCNJ1 (0.49) KCNJ1ALDH1A1KDM4ECPB2CYP2A6
SCHEMBL30445326 0.81 KCNJ1 (0.49) KCNJ1ALDH1A1KDM4ECPB2CYP2A6
SCHEMBL23884612 0.81 KCNJ1 (0.49) KCNJ1ALDH1A1L3MBTL1POLBCASP6
SCHEMBL22606996 0.78 KCNJ1 (0.60) KCNJ1ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL20168007 0.77 KCNJ1 (0.46) KCNJ1ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL23884630 0.76 KCNJ1 (0.44) KCNJ1ALDH1A1L3MBTL1POLBKDM4E
SCHEMBL8191298 0.74 KCNJ1 (0.51) KCNJ1ALDH1A1L3MBTL1POLBKDM4E
SCHEMBL23501178 0.72 KCNJ1 (0.54) KCNJ1ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL1609848 0.72 KCNJ1 (0.50) KCNJ1ALDH1A1KDM4EMEN1KMT2A

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-20220144847-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF ELLIPSES PHARMA LTD (GB) 2022-05-12 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-20220144847-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF NOTUM, FURIN, CYP4A11 KCNJ1 2287/4885ALDH1A1 644/4885L3MBTL1 4871/4885

“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.