SCHEMBL10134875

SCHEMBL10134875

CCN1CCCC1CNc1nc2cc(C#N)ccc2c2ccsc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
MAP3K8 P41279 2/20 0.39
DRD2 P14416 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ACHE P22303 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
NMT1 P30419 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
PIM1 P11309 1/20 0.35
CSNK2A1 P68400 1/20 0.35
GPR6 P46095 2/20 0.34

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
SCHEMBL10134962 0.93 CSNK2A1 (0.41) SLC6A4KDM4EALDH1A1HSD17B10HPGD
SCHEMBL10134878 0.86 SLC6A4 (0.41) SLC6A4LMNAIRAK4CSNK2A1GPR6
SCHEMBL13688024 0.86 KDM4E (0.41) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL10134795 0.85 SLC6A4 (0.41) SLC6A4KDM4EALDH1A1HSD17B10HPGD
SCHEMBL10136184 0.81 CSNK2A1 (0.44) SLC6A4LMNACSNK2A1
SCHEMBL10134879 0.79 KDM4E (0.38) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL13688063 0.79 CSNK2A1 (0.42) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL10132574 0.76 CSNK2A1 (0.61) CSNK2A1
SCHEMBL10135004 0.74 CSNK2A1 (0.41) L3MBTL1IRAK4CSNK2A1
SCHEMBL10132276 0.72 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.