SCHEMBL3242222

SCHEMBL3242222

Cc1cc(C2(c3cccc(O)c3)N=C(N)c3ncccc32)cc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.44
KCNH2 Q12809 10/20 0.44
PIK3CD O00329 3/20 0.36
PIK3CA P42336 3/20 0.36
PIK3CG P48736 3/20 0.36
BACE2 Q9Y5Z0 3/20 0.35
PDK2 Q15119 3/20 0.33
PIK3CB P42338 2/20 0.32
MTOR P42345 2/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3242705 0.84 BACE1 (0.46) BACE1KCNH2BACE2
SCHEMBL3248412 0.84 BACE1 (0.43) BACE1KCNH2BACE2
SCHEMBL3358036 0.81 BACE1 (0.68) BACE1KCNH2BACE2
SCHEMBL3242312 0.81 BACE1 (0.33) BACE1KCNH2PIK3CDPIK3CAPIK3CG
SCHEMBL7919556 0.80 BACE1 (0.40) BACE1KCNH2BACE2PDK2KMT2A
SCHEMBL3239035 0.79 BACE1 (0.52) BACE1KCNH2BACE2PDK2
Acetic Acid SCHEMBL3235775 0.77 BACE1 (0.37) BACE1KCNH2
SCHEMBL3360116 0.77 BACE1 (0.39) BACE1KCNH2BACE2
SCHEMBL3357619 0.76 BACE1 (0.54) BACE1KCNH2BACE2
SCHEMBL3359222 0.76 SYK (0.38) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 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-20100125081-A1 NEW COMPOUNDS 574 PSEN1, PSEN2, BACE1 BACE1 3/4885KCNH2 4727/4885PIK3CD 540/4885
US-20100125087-A1 NEW COMPOUNDS 575 PSEN1, PSEN2, BACE1 BACE1 3/4885KCNH2 4652/4885PIK3CD 614/4885

“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.