SCHEMBL10134795

SCHEMBL10134795

CCN1CCCC1CNc1nc2cc(C#N)ccc2c2cscc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
MAP3K8 P41279 2/20 0.40
DRD2 P14416 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
HTR2C P28335 1/20 0.36
MCHR1 Q99705 1/20 0.36
PIM1 P11309 2/20 0.36
USP2 O75604 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL10134789 0.86 SLC6A4 (0.44) SLC6A4LMNAIRAK4
SCHEMBL13688079 0.85 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL10134875 0.85 SLC6A4 (0.40) SLC6A4KDM4EALDH1A1HSD17B10HPGD
SCHEMBL10134962 0.85 CSNK2A1 (0.41) SLC6A4KDM4EALDH1A1HSD17B10HPGD
SCHEMBL10134803 0.79 KDM4E (0.39) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL13688031 0.77 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL10136184 0.74 CSNK2A1 (0.44) SLC6A4LMNA
SCHEMBL10134791 0.71 CSNK2A1 (0.47) POLBPIM1PIM2
SCHEMBL10134878 0.71 SLC6A4 (0.41) SLC6A4LMNAIRAK4
SCHEMBL13688063 0.70 CSNK2A1 (0.42) KDM4EALDH1A1HSD17B10HPGDLMNA

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 SLC6A4 4414/4885KDM4E 736/4885ALDH1A1 3801/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 SLC6A4 4414/4885KDM4E 736/4885ALDH1A1 3801/4885

“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.