SCHEMBL26326391

SCHEMBL26326391

C[Si](C)(C)CCOCn1c(-c2ccc(CN3CCC(S(C)(=O)=O)CC3)cc2)cc2c(C(=O)C3CCOCC3)c([N+](=O)[O-])cnc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.35
MCHR1 Q99705 1/20 0.34
PDE1B Q01064 1/20 0.34
MELK Q14680 4/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
LTA4H P09960 1/20 0.31
MAPT P10636 2/20 0.31
GALR3 O60755 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
SCHEMBL30586615 1.00 JAK2 (0.35) JAK2MCHR1PDE1BMELKKMT2A
SCHEMBL24175780 0.93 JAK2 (0.36) JAK2MCHR1PDE1BMELKKMT2A
SCHEMBL30586614 0.90 JAK2 (0.36) JAK2MCHR1PDE1BMELKPIK3CA
SCHEMBL24166204 0.90 JAK2 (0.36) JAK2MCHR1PDE1BMELKPIK3CA
SCHEMBL30586617 0.87 MCHR1 (0.35) JAK2MCHR1PDE1BMELKPIK3CA
SCHEMBL24175713 0.83 JAK2 (0.37) JAK2MCHR1PDE1BMELKPIK3CA
SCHEMBL24175716 0.82 JAK2 (0.32) JAK2MCHR1PDE1B
SCHEMBL26326387 0.80 NPC1 (0.33) KDM4EALDH1A1PIK3CAPIK3CBMAPT
SCHEMBL24175715 0.76 JAK2 (0.33) JAK2MCHR1PDE1B
SCHEMBL24176071 0.74 PIK3CD (0.31) ALDH1A1POLBPIK3CAPIK3CBMAPT

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-11767323-B2 Tricyclic pyridone compounds as JAK2 V617F inhibitors INCYTE CORPORATION (US) 2023-09-26 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-11767323-B2 Tricyclic pyridone compounds as JAK2 V617F inhibitors JAK2, JAK1, JAK3 JAK2 1/4885MCHR1 2531/4885PDE1B 1746/4885

“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.