SCHEMBL1104764

SCHEMBL1104764

c1cc2nc3n(c2cn1)CCCCC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 1/20 0.43
TP53 P04637 5/20 0.43
ALDH1A1 P00352 3/20 0.43
ACHE P22303 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
BCHE P06276 1/20 0.39
CFTR P13569 1/20 0.39
ALOX15 P16050 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GOPC Q9HD26 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1104754 0.98 MEN1 (0.49) MEN1KMT2AHDAC6POLBTP53
SCHEMBL1104766 0.93 KDM4E (0.44) MEN1KMT2AHDAC6POLBTP53
SCHEMBL10255911 0.85 MEN1 (0.52) MEN1KMT2AHDAC6POLBTP53
SCHEMBL10830714 0.78 MEN1 (0.62) MEN1KMT2AHDAC6POLBTP53
SCHEMBL19398922 0.77 MEN1 (0.65) MEN1KMT2AHDAC6TP53ALDH1A1
Hydrochloric Acid SCHEMBL11644774 0.77 MEN1 (0.60) MEN1KMT2AHDAC6POLBTP53
SCHEMBL840083 0.76 MEN1 (0.59) MEN1KMT2AHDAC6POLBTP53
SCHEMBL13057972 0.75 ALDH1A1 (0.49) POLBTP53ALDH1A1SMN1; SMN2LMNA
SCHEMBL19398918 0.74 MEN1 (0.65) MEN1KMT2AHDAC6POLBALDH1A1
SCHEMBL13057970 0.73 KDM4E (0.50) POLBALDH1A1KDM4EHSD17B10

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-8420817-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-04-16 US disclosed
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-06-28 US disclosed
US-8153796-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
US-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-07-08 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 (2 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-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 MEN1 1327/4885KMT2A 809/4885HDAC6 20/4885
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 MEN1 1327/4885KMT2A 809/4885HDAC6 20/4885

“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.