SCHEMBL3537228

SCHEMBL3537228

Fc1ccc(C[N]Cc2ccncc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.45
CYP11B1 P15538 4/20 0.44
CYP11B2 P19099 4/20 0.44
CYP17A1 P05093 2/20 0.44
CYP3A4 P08684 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KCNH3 Q9ULD8 1/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41
LTA4H P09960 1/20 0.41
CYP19A1 P11511 1/20 0.40
MAPK10 P53779 1/20 0.40
MAPK14 Q16539 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL6083210 0.86 LOXL2 (0.50) CYP11B1CYP3A4SMN1; SMN2ALDH1A1LMNA
SCHEMBL7482733 0.79 CYP17A1 (0.58) CYP11B1CYP11B2CYP17A1CYP3A4L3MBTL1
SCHEMBL7327085 0.79 CYP17A1 (0.55) CYP11B1CYP17A1L3MBTL1USP2RAB9A
SCHEMBL3539350 0.79 MIF (0.42) MIFCYP11B1CYP11B2CYP17A1L3MBTL1
SCHEMBL16700339 0.74 MMP13 (0.46) CYP11B1CYP11B2CYP17A1CYP3A4L3MBTL1
SCHEMBL15393061 0.74 LMNA (0.61) CYP3A4L3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL18770326 0.74 CYP17A1 (0.68) CYP11B1CYP11B2CYP17A1CYP3A4CYP19A1
SCHEMBL14156909 0.74 IDO1 (0.50) CYP3A4L3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3157505 0.73 LOXL2 (0.42) CYP3A4L3MBTL1SMN1; SMN2ALDH1A1CYP19A1
SCHEMBL8852123 0.73 MIF (0.54) MIFL3MBTL1LMNALOXL2IDO1

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-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-7419987-B2 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them ELBION AG (DE) 2008-09-02 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-20060258700-A1 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them BIOTIE THERAPIES GMBH (DE) 2006-11-16 US disclosed
EP-1330455-B1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2005-08-03 EP 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-20060258700-A1 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE3A MIF 3414/4885CYP11B1 418/4885CYP11B2 355/4885
US-20080207680-A1 7-Azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE7A MIF 2360/4885CYP11B1 417/4885CYP11B2 384/4885

“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.