SCHEMBL4095791

SCHEMBL4095791

O=c1[nH]c2ccncc2c2cc(F)ccc12

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.69
PARP1 P09874 6/20 0.64
CHUK O15111 1/20 0.54
PGR P06401 2/20 0.50
CSNK2A1 P68400 2/20 0.49
MAPT P10636 3/20 0.48
KIF11 P52732 1/20 0.47
MAPK14 Q16539 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
KDM4E B2RXH2 1/20 0.43
DAO P14920 1/20 0.43

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
SCHEMBL10134607 0.84 PARP1 (0.63) ACHEPARP1CHUKCSNK2A1MAPT
SCHEMBL10134606 0.81 PARP1 (0.79) ACHEPARP1CHUKCSNK2A1MAPT
SCHEMBL2151265 0.81 PGR (0.68) ACHEPARP1PGRKIF11KDM4E
SCHEMBL1478179 0.78 PARP1 (1.00) ACHEPARP1CHUKCSNK2A1CDK5
SCHEMBL30704720 0.78 PARP1 (1.00) ACHEPARP1CHUKCSNK2A1CDK5
SCHEMBL9043755 0.72 PARP1 (0.81) ACHEPARP1CHUKCSNK2A1KDM4E
SCHEMBL3453800 0.72 AURKA (0.68) PARP1PGRMAPTMAPK14GSK3A
SCHEMBL2150990 0.71 PARP1 (0.64) PARP1PGRKDM4E
SCHEMBL29548318 0.71 ACHE (0.63) ACHEPARP1CHUKMAPTKIF11
SCHEMBL27097906 0.71 ACHE (0.63) ACHEPARP1CHUKMAPTKIF11

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 5 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-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
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 WO 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 ACHE 4858/4885PARP1 1861/4885CHUK 36/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 ACHE 4858/4885PARP1 1861/4885CHUK 36/4885

“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.