SCHEMBL4101641

SCHEMBL4101641

C[Si](C)(C)CCOCn1ccc2c3nc(N4CCC5(CC4)CO5)n(Cc4ccccc4)c3c3ccc(F)cc3c2c1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.34
MAOB P27338 4/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 2/20 0.32
FAP Q12884 1/20 0.31
HTR6 P50406 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL4096907 0.93 KDM4E (0.35) DPP4MAOBTP53ALDH1A1TSHR
SCHEMBL4101690 0.91 DPP4 (0.35) DPP4TP53ALDH1A1TSHRKDM4E
SCHEMBL4103659 0.87 DPP4 (0.33) DPP4TP53ALDH1A1TSHRKDM4E
SCHEMBL4092544 0.86 ALDH1A1 (0.35) DPP4ALDH1A1KDM4EHTTHSD17B10
SCHEMBL4104674 0.82 DPP4 (0.35) DPP4TP53ALDH1A1KDM4EHSD17B10
SCHEMBL13741504 0.79 NPC1 (0.33) ALDH1A1KDM4E
SCHEMBL13740523 0.76 EGLN1 (0.35) ALDH1A1KDM4ELMNARECQL
SCHEMBL13741402 0.76 TLR7 (0.43) ALDH1A1TSHRKDM4EHSD17B10LMNA
SCHEMBL4098521 0.76 NPC1 (0.33) ALDH1A1KDM4E
SCHEMBL5760757 0.73 KDM4E (0.33) ALDH1A1KDM4EHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 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 (2 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 DPP4 1583/4885MAOB 4387/4885TP53 1050/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 DPP4 1583/4885MAOB 4387/4885TP53 1050/4885

“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.