SCHEMBL1104756

SCHEMBL1104756

c1cnc2c(c1)nc1n2CCN1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TGFBR1 P36897 4/20 0.45
POLB P06746 1/20 0.44
MAPK10 P53779 1/20 0.43
HTR3E A5X5Y0 3/20 0.43
HTR3B O95264 3/20 0.43
HTR3A P46098 3/20 0.43
HTR3D Q70Z44 3/20 0.43
HTR3C Q8WXA8 3/20 0.43
HTR1A P08908 2/20 0.43
HTR2C P28335 2/20 0.43
TP53 P04637 1/20 0.37
PARP1 P09874 2/20 0.36
HRH4 Q9H3N8 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
SCHEMBL1104767 0.90 KDM4E (0.56) ALDH1A1KDM4EHPGDHSD17B10TGFBR1
SCHEMBL1104770 0.76 HTR2C (0.46) ALDH1A1KDM4EHTR3EHTR3BHTR3A
SCHEMBL204292 0.75 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10TGFBR1
SCHEMBL839645 0.75 KDM4E (0.61) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL31249024 0.75 KDM4E (0.61) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL1104773 0.71 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10TGFBR1HTR3E
SCHEMBL202005 0.70 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10TGFBR1
SCHEMBL2743292 0.70 KDM4E (0.58) ALDH1A1KDM4EHPGDHSD17B10TGFBR1
SCHEMBL10824587 0.70 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL1104755 0.69 KDM4E (0.51) ALDH1A1KDM4EHPGDHSD17B10TGFBR1

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 ALDH1A1 1200/4885KDM4E 2247/4885HPGD 2327/4885
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 ALDH1A1 1200/4885KDM4E 2247/4885HPGD 2327/4885

“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.