SCHEMBL13312234

SCHEMBL13312234

Cc1cc(NCCNc2n[nH]c(C)c2-c2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.47
▸ MAP3K14 Q99558 1/20 0.47
▸ CRHR1 P34998 1/20 0.42
▸ PLK4 O00444 3/20 0.42
▸ PAK4 O96013 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ GPR55 Q9Y2T6 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALOX15 P16050 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
SCHEMBL13312187 0.75 ALPL (0.49) PLK4PAK4NTRK1MEN1KMT2A
SCHEMBL13312189 0.74 CHEK1 (0.58) CRHR1PLK4MEN1KMT2ACYP1A2
SCHEMBL13312274 0.72 HSP90AA1 (0.48) IKBKBMAP3K14MEN1KMT2AHTT
SCHEMBL13312311 0.71 APP (0.64) KMT2AMAPTGAATNIKAPP
SCHEMBL13312209 0.71 APP (0.71) KMT2AMAPTGAATNIKAPP
Hydrochloric Acid SCHEMBL3501348 0.70 APP (0.63) KMT2AMAPTGAATNIKAPP
Hydrochloric Acid SCHEMBL3500994 0.70 IKBKB (0.45) IKBKBMAP3K14PLK4PAK4NTRK1
SCHEMBL24962586 0.67 IKBKB (0.68) IKBKBMAP3K14MEN1KMT2AHTT
SCHEMBL5256021 0.65 MAPK14 (0.50) TNIK
SCHEMBL5344939 0.65 TLR8 (0.47) MEN1KMT2AHTTCYP1A2CYP2D6

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-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 — — US disclosed
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 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-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS APP, BACE1, APBA1 IKBKB 1619/4885MAP3K14 3899/4885CRHR1 807/4885

“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.

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