SCHEMBL3358442

SCHEMBL3358442

NC1NC(c2cccc(-c3cccc(Cl)c3)c2)(c2ccnc(C(F)(F)F)c2)c2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.42
KCNH2 Q12809 5/20 0.42
PDK2 Q15119 1/20 0.32
MAP4K4 O95819 1/20 0.31
SYK P43405 1/20 0.31
CTSD P07339 1/20 0.31
PGR P06401 1/20 0.31
NUDT1 P36639 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
SCHEMBL3358432 0.92 BACE1 (0.45) BACE1KCNH2
SCHEMBL3359269 0.89 BACE1 (0.48) BACE1KCNH2PDK2CTSD
SCHEMBL3359280 0.88 BACE1 (0.56) BACE1KCNH2
SCHEMBL3239041 0.84 BACE1 (0.36) BACE1KCNH2SYK
SCHEMBL3357636 0.84 BACE1 (0.36) BACE1KCNH2SYK
SCHEMBL3361821 0.82 KCNH2 (0.43) BACE1KCNH2SYK
SCHEMBL3358453 0.82 BACE1 (0.37) BACE1KCNH2SYKCTSD
SCHEMBL3249132 0.82 KDM1A (0.38) BACE1KCNH2SYKCTSD
SCHEMBL3239146 0.79 P2RX7 (0.34) BACE1KCNH2
SCHEMBL3360710 0.78 BACE1 (0.31) BACE1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US claimed
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 (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-20100125081-A1 NEW COMPOUNDS 574 PSEN1, PSEN2, BACE1 BACE1 3/4885KCNH2 4727/4885PDK2 1831/4885

“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.