SCHEMBL3607193

SCHEMBL3607193

C=CCc1ccn[c]c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
MAP4K4 O95819 1/20 0.32
RET P07949 1/20 0.32
IGF1R P08069 1/20 0.32
MET P08581 1/20 0.32
PIM1 P11309 1/20 0.32
LTK P29376 1/20 0.32
KDR P35968 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
CDK8 P49336 1/20 0.32
CLK2 P49760 1/20 0.32
CDK9 P50750 1/20 0.32
CDK5 Q00535 1/20 0.32
ACVR1 Q04771 1/20 0.32

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
SCHEMBL5763290 0.78 L3MBTL1 (0.33) ADRA2BADRA2CGABRA1GABRB2AURKA
SCHEMBL3758958 0.77 SMN1; SMN2 (0.33) SMN1; SMN2L3MBTL1HTR1AALDH1A1
SCHEMBL3763076 0.77 PDCD1 (0.38) KDM4ELMNAHTTALDH1A1
SCHEMBL1021570 0.72 AURKA (0.39) ADRA2BADRA2CGABRA1GABRB2AURKA
SCHEMBL2067220 0.72 GABRA1 (0.40) GABRA1GABRB2KDM4ELMNAL3MBTL1
SCHEMBL2067168 0.72 IMPDH2 (0.33) GABRA1GABRB2
SCHEMBL8076152 0.71 BCL2 (0.33) METSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9559529 0.70 AURKA (0.37) GABRA1GABRB2AURKADAPK3MAP4K4
SCHEMBL11577222 0.69 ALOX15 (0.51) KDM4ELMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3769363 0.69 MAPT (0.32) ADRA2BADRA2CLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106641-A1 Novel 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same BIOTIE THERAPIES GMBH (DE) 2004-06-03 US claimed
US-7683074-B2 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them BIOTIE THERAPIES GMBH (DE) 2010-03-23 US disclosed
US-20080207680-A1 7-Azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them BIOTIE THERAPIES GMBH (DE) 2008-08-28 US disclosed
US-7169787-B2 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same ELBION AG (DE) 2007-01-30 US disclosed
US-20040106641-A1 Novel 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same BIOTIE THERAPIES GMBH (DE) 2004-06-03 US disclosed
US-4139623-A HYPOTENSIVE AGENTS C-G CORP. (US) 1979-02-13 US disclosed
US-4027027-A BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS CIBA-GEIGY CORPORATION (US) 1977-05-31 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-20040106641-A1 Novel 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same PDE4A, PDE4B, PDE4C ADRA2B 736/4885ADRA2C 732/4885GABRA1 3484/4885
US-20080207680-A1 7-Azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE7A ADRA2B 1111/4885ADRA2C 652/4885GABRA1 3910/4885

“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.