SCHEMBL1104766

SCHEMBL1104766

c1cc2nc3n(c2cn1)CCC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ACHE P22303 2/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
BCHE P06276 1/20 0.44
CFTR P13569 1/20 0.44
ALOX15 P16050 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
GOPC Q9HD26 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
TP53 P04637 3/20 0.36
POLB P06746 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
SCHEMBL1104754 0.95 MEN1 (0.49) KDM4EALDH1A1HSD17B10ACHEUSP2
SCHEMBL1104764 0.93 MEN1 (0.48) KDM4EALDH1A1HSD17B10ACHEUSP2
SCHEMBL10255911 0.81 MEN1 (0.52) KDM4EALDH1A1HSD17B10ACHEUSP2
SCHEMBL503163 0.77 ALDH1A1 (0.60) KDM4EALDH1A1HSD17B10ACHEUSP2
SCHEMBL21320580 0.75 CYP11B1 (0.47) KDM4EALDH1A1CYP1A2ALOX15MEN1
SCHEMBL31639272 0.74 KDM4E (0.66) KDM4EALDH1A1HSD17B10ACHEUSP2
SCHEMBL18074816 0.73 MAPT (0.36)
SCHEMBL13057966 0.73 KDM4E (0.49) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL8258842 0.73 KCNH2 (0.40)
SCHEMBL19398922 0.73 MEN1 (0.65) KDM4EALDH1A1HSD17B10ACHEUSP2

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 KDM4E 2247/4885ALDH1A1 1200/4885HSD17B10 2336/4885
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 KDM4E 2247/4885ALDH1A1 1200/4885HSD17B10 2336/4885

“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.