SCHEMBL3548950

SCHEMBL3548950

COc1cc(C(=O)NCC(C)(C)CN2CCCC2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
PLD2 O14939 1/20 0.44
PLD1 Q13393 1/20 0.44
HRH1 P35367 1/20 0.44
CCR3 P51677 1/20 0.44
KCNH2 Q12809 1/20 0.44
KMT2A Q03164 2/20 0.43
SLC5A7 Q9GZV3 1/20 0.43
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
SLC29A1 Q99808 1/20 0.42
MEN1 O00255 1/20 0.41
CHRM4 P08173 1/20 0.41

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
SCHEMBL12749419 0.84 KMT2A (0.57) HTR4SMN1; SMN2PLD2PLD1HRH1
SCHEMBL3545667 0.84 LMNA (0.48) HTR4SMN1; SMN2KCNH2KMT2AKDM4E
SCHEMBL13175785 0.82 TLR8 (0.51) HTR4SMN1; SMN2KMT2APOLBMAPT
SCHEMBL3542972 0.81 SMN1; SMN2 (0.68) HTR4SMN1; SMN2PLD2PLD1KMT2A
SCHEMBL13575582 0.81 SMN1; SMN2 (0.67) HTR4SMN1; SMN2PLD2PLD1KMT2A
SCHEMBL12427422 0.80 SLC29A1 (0.66) HTR4SMN1; SMN2PLD2PLD1KMT2A
SCHEMBL16982459 0.80 ROCK2 (0.49) HTR4SMN1; SMN2KMT2APOLBALDH1A1
SCHEMBL13175532 0.79 SMN1; SMN2 (0.65) HTR4SMN1; SMN2PLD2PLD1CCR3
SCHEMBL3541043 0.79 HTR4 (0.45) HTR4SMN1; SMN2PLD2PLD1KMT2A
SCHEMBL12426657 0.79 SLC29A1 (0.65) HTR4SMN1; SMN2KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 HTR4 3043/4885SMN1; SMN2 1059/4885PLD2 3477/4885

“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.