SCHEMBL1104767

SCHEMBL1104767

c1cnc2c(c1)nc1n2CCCN1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPK10 P53779 1/20 0.51
TGFBR1 P36897 2/20 0.44
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR1A P08908 2/20 0.41
HTR2C P28335 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
GFER P55789 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
RPS6KA3 P51812 2/20 0.37
RPS6KA2 Q15349 1/20 0.37

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
SCHEMBL1104756 0.90 ALDH1A1 (0.54) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL840080 0.77 KDM4E (0.63) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL32688151 0.77 KDM4E (0.63) KDM4EALDH1A1POLBHPGDHSD17B10
Hydrochloric Acid SCHEMBL3851196 0.75 KDM4E (0.61) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL1104755 0.73 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10TGFBR1
SCHEMBL840079 0.72 KDM4E (0.64) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL1104761 0.72 MEN1 (0.51) KDM4EALDH1A1HSD17B10TGFBR1MEN1
SCHEMBL11125388 0.72 ALDH1A1 (1.00) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL32688153 0.72 KDM4E (0.54) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL1104771 0.71 MEN1 (0.54) KDM4EALDH1A1HSD17B10MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 KDM4E 2247/4885ALDH1A1 1200/4885POLB 2621/4885

“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.