SCHEMBL10134945

SCHEMBL10134945

N#Cc1ccc2c(c1)nc(N1CCC(N3CCOCC3)CC1)c1ccsc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.43
ALK Q9UM73 6/20 0.41
KDR P35968 3/20 0.40
KIT P10721 2/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
SCN9A Q15858 1/20 0.40
CSNK2A1 P68400 2/20 0.39
SLC6A4 P31645 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
PRKDC P78527 1/20 0.39
GAK O14976 1/20 0.38
ACOX3 O15254 1/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
EGFR P00533 1/20 0.38
ESR1 P03372 1/20 0.38
PGR P06401 1/20 0.38
RET P07949 1/20 0.38
ROS1 P08922 1/20 0.38

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
SCHEMBL10134963 0.91 HRH3 (0.45) IRAK4ALKCSNK2A1HRH3
SCHEMBL13688015 0.85 PIK3CA (0.45) PIK3R1PIK3CACSNK2A1HRH3PRKDC
SCHEMBL10134961 0.81 HRH4 (0.40) IRAK4ALKCSNK2A1EML4
SCHEMBL10134999 0.80 HTR2C (0.48) CSNK2A1HRH3DRD3
SCHEMBL10134989 0.80 HRH4 (0.55) CSNK2A1HRH3
SCHEMBL10134996 0.80 PRKCI (0.46) CSNK2A1
SCHEMBL10134906 0.77 EGLN2 (0.42) CSNK2A1
SCHEMBL10134893 0.76 HRH4 (0.51) CSNK2A1
SCHEMBL10134981 0.76 SMPD3 (0.47) IRAK4CSNK2A1
SCHEMBL13688061 0.75 CSNK2A1 (0.40) PIK3CACSNK2A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 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-20120208792-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 IRAK4 844/4885ALK 412/4885KDR 329/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 IRAK4 844/4885ALK 412/4885KDR 329/4885

“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.