SCHEMBL5751095

SCHEMBL5751095

N#Cc1cccc(N2CCN(C(=O)c3c(-c4ccccc4)nc4ccccn34)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.47
KCNK3 O14649 7/20 0.46
KCNK9 Q9NPC2 7/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A7 Q99884 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC27A1 Q6PCB7 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NOTUM Q6P988 1/20 0.41
GAA P10253 1/20 0.41
CHRM4 P08173 2/20 0.41
PHGDH O43175 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
SCHEMBL5751904 0.84 CYP1A2 (0.47) KCNK3KCNK9MEN1KMT2ASLC6A7
SCHEMBL5751693 0.83 CYP1A2 (0.46) KCNK3KCNK9MEN1KMT2ACYP1A2
SCHEMBL31091138 0.80 SMN1; SMN2 (0.46) KCNK3KCNK9MEN1KMT2ASLC6A7
SCHEMBL21715166 0.80 SMN1; SMN2 (0.46) KCNK3KCNK9MEN1KMT2ASLC6A7
SCHEMBL5750395 0.79 SMN1; SMN2 (0.50) KCNK3KCNK9MEN1KMT2ACYP1A2
SCHEMBL22768015 0.78 CYP1A2 (0.56) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL1379079 0.77 SMO (0.48) SMOMEN1KMT2ASLC6A7ALDH1A1
SCHEMBL1381842 0.76 SMO (0.48) SMOSLC6A7ALDH1A1NOTUMCHRM4
SCHEMBL1381981 0.76 SMO (0.48) SMOMEN1KMT2ASLC6A7ALDH1A1
SCHEMBL6496505 0.75 SMO (0.49) SMOSLC6A7NOTUMCHRM4

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
EP-1651602-A2 ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS COMPRISING THE SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2006-05-03 EP disclosed
WO-2005009947-A2 ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS COMPRISING THE SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2005-02-03 WO disclosed
US-20050020593-A1 Aryl-heteroaromatic compounds, compositions comprising them and use AVENTIS PHARMA (FR) 2005-01-27 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-20050020593-A1 Aryl-heteroaromatic compounds, compositions comprising them and use TUBB3, TUBB, TUBB1 SMO 3703/4885KCNK3 3993/4885KCNK9 4136/4885

“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.