SCHEMBL5068797

SCHEMBL5068797

c1cc(N2CCNCC2)c2cn[nH]c2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.71
PIK3CA P42336 1/20 0.71
PIK3CB P42338 1/20 0.71
NCF1 P14598 7/20 0.55
ADRB2 P07550 3/20 0.55
AKT2 P31751 2/20 0.53
NUDT1 P36639 4/20 0.52
AKT1 P31749 1/20 0.50
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
CDC42BPB Q9Y5S2 1/20 0.47
HTR1A P08908 4/20 0.47
HTR7 P34969 4/20 0.47
HTR2B P41595 4/20 0.47
HTR6 P50406 4/20 0.47
HTR5A P47898 2/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HTR3A P46098 1/20 0.44

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
Hydrochloric Acid SCHEMBL3714265 0.98 PIK3CD (0.69) PIK3CDPIK3CAPIK3CBNCF1ADRB2
SCHEMBL2799562 0.76 AKT2 (0.67) NCF1ADRB2AKT2NUDT1ROCK2
SCHEMBL24424256 0.76 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBAKT2NUDT1
SCHEMBL27491482 0.76 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBAKT2NUDT1
Hydrochloric Acid SCHEMBL2800609 0.75 AKT2 (0.65) NCF1ADRB2AKT2NUDT1ROCK2
SCHEMBL19465572 0.74 PIK3CD (0.76) PIK3CDPIK3CAPIK3CBAKT2NUDT1
SCHEMBL16882885 0.74 PIK3CA (0.57) PIK3CANCF1ADRB2AKT1HTR1A
SCHEMBL3721916 0.74 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBAKT2NUDT1
SCHEMBL12842830 0.73 HTR6 (0.58) NCF1HTR1AHTR7HTR2BHTR6
SCHEMBL19465587 0.73 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBAKT2NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081817-A1 Nitrogenous Fused Bicyclic Compound TANABE SEIYAKU CO., LTD. (JP) 2008-04-03 US disclosed
EP-1772454-A1 NITROGENOUS FUSED BICYCLIC COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2007-04-11 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 (1 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-20080081817-A1 Nitrogenous Fused Bicyclic Compound KCNH2, KCNN2, KCNN1 PIK3CD 1984/4885PIK3CA 2075/4885PIK3CB 2392/4885

“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.