SCHEMBL3245933

SCHEMBL3245933

[CH2]c1ccc(CN(C)Cc2cccc(-c3ncccn3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.40
DYRK1A Q13627 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
ADRB2 P07550 1/20 0.39
ACHE P22303 5/20 0.38
CETP P11597 1/20 0.37
TSHR P16473 3/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.36
BCHE P06276 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL3242981 0.86 ADRB2 (0.49) CLK4ADRB2TSHRKDM4EMAPT
SCHEMBL3245741 0.83 PRKCI (0.50) KDM4ESMN1; SMN2
SCHEMBL3233011 0.81 EPHX2 (0.52) CYP2D6CYP2C19CETPBACE1ALDH1A1
SCHEMBL3243661 0.79 PSMB5 (0.42) CYP2C9ATMBACE1
SCHEMBL3239908 0.74 CHKA (0.48) TSHRKDM4ESMN1; SMN2MAPTPOLB
SCHEMBL3242409 0.74 ALDH1A1 (0.54) ACHETSHRKDM4ESMN1; SMN2MAPT
SCHEMBL3235759 0.74 CYP2D6 (0.40) CYP2D6CYP2C9CYP2C19RECQLTSHR
SCHEMBL3239427 0.74 JAK1 (0.44) CYP2D6CYP2C9CYP2C19TSHRKDM4E
SCHEMBL7209038 0.72 ADRB2 (0.50) CLK4ADRB2TSHRKDM4EMAPT
SCHEMBL6848165 0.71 CLK4 (0.47) CLK4DYRK1ACYP2D6CYP2C19ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 CLK4 1387/4885DYRK1A 2818/4885CYP2D6 1205/4885

“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.