SCHEMBL25890965

SCHEMBL25890965

CC(C)(C)c1nc2cc[nH]c(=O)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.47
JAK1 P23458 2/20 0.47
CHEK1 O14757 1/20 0.47
IKBKB O14920 1/20 0.47
MAPK13 O15264 1/20 0.47
DAPK3 O43293 1/20 0.47
PRKD3 O94806 1/20 0.47
FYN P06241 1/20 0.47
RET P07949 1/20 0.47
HCK P08631 1/20 0.47
PDGFRB P09619 1/20 0.47
PIM1 P11309 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRA P16234 1/20 0.47
PRKCA P17252 1/20 0.47
PRKACA P17612 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR4 P22455 1/20 0.47
FGFR3 P22607 1/20 0.47

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
SCHEMBL18711732 0.86 CHEK1 (0.41) JAK2JAK1CHEK1IKBKBMAPK13
SCHEMBL8272445 0.77 PARP1 (0.46) ALDH1A1SMN1; SMN2ADORA3PARP1KDM4E
SCHEMBL4068105 0.76 XDH (0.41) MAPK13MAPK12MAPK11MAPK14L3MBTL1
SCHEMBL12199282 0.74 ADORA3 (0.42) JAK2JAK1CHEK1IKBKBMAPK13
SCHEMBL4064905 0.73 PARP1 (0.34) JAK2RPS6KA3MELKALDH1A1ADORA2A
SCHEMBL7443209 0.72 KDM4E (0.40) JAK2TYK2ALDH1A1ADORA3ADORA2A
SCHEMBL19269407 0.70 BRD9 (0.44) JAK2JAK1CHEK1IKBKBMAPK13
SCHEMBL5759495 0.69 JAK2 (0.65) JAK2JAK1CHEK1IKBKBMAPK13
SCHEMBL22487898 0.69 ALDH1A1 (0.52) JAK2JAK1CHEK1IKBKBMAPK13
SCHEMBL16212529 0.69 DYRK1A (0.57) JAK2JAK1CHEK1IKBKBMAPK13

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 JAK2 688/4885JAK1 1766/4885CHEK1 4873/4885

“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.