SCHEMBL1104773

SCHEMBL1104773

c1cnc2c(c1)nc1n2CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 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
ACHE P22303 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
HTR3E A5X5Y0 3/20 0.38
HTR3B O95264 3/20 0.38
HTR3A P46098 3/20 0.38
HTR3D Q70Z44 3/20 0.38
HTR3C Q8WXA8 3/20 0.38
HTR1A P08908 2/20 0.38
HTR2C P28335 2/20 0.38

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
SCHEMBL1104755 0.89 KDM4E (0.51) ALDH1A1KDM4EUSP2CYP1A2BCHE
SCHEMBL1104761 0.88 MEN1 (0.51) ALDH1A1KDM4EUSP2CYP1A2BCHE
SCHEMBL1104771 0.86 MEN1 (0.54) ALDH1A1KDM4EUSP2CYP1A2BCHE
SCHEMBL1104757 0.78 POLB (0.40) ALDH1A1KDM4EUSP2ALOX15PDE4B
SCHEMBL1104770 0.78 HTR2C (0.46) ALDH1A1KDM4EHTR3EHTR3BHTR3A
SCHEMBL24640290 0.78 HTR3A (0.46) KDM4EHTR3EHTR3BHTR3AHTR3D
SCHEMBL1104756 0.71 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10HTR3EHTR3B
SCHEMBL7691317 0.71 HTR3E (0.43) ALDH1A1KDM4EUSP2CYP1A2HSD17B10
SCHEMBL8355374 0.71 GRM2 (0.50) ALDH1A1KDM4EUSP2CYP1A2BCHE
SCHEMBL1104762 0.70 TGFBR1 (0.48) ALDH1A1KDM4ECYP1A2ALOX15HSD17B10

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 2247/4885USP2 3798/4885
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 ALDH1A1 1200/4885KDM4E 2247/4885USP2 3798/4885

“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.