SCHEMBL1104770

SCHEMBL1104770

c1cnc2c(c1)nc1n2CCNC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR1A P08908 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
HTR2A P28223 2/20 0.38
SLC6A4 P31645 1/20 0.38
TP53 P04637 1/20 0.38
MCHR1 Q99705 1/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 1/20 0.36
PLD1 Q13393 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL1104773 0.78 ALDH1A1 (0.39) HTR2CHTR3EHTR3BHTR1AHTR3A
SCHEMBL839815 0.76 HTR2A (0.50) HTR2CHTR3AHTR2AMCHR1TSHR
SCHEMBL29539173 0.76 HTR2A (0.50) HTR2CHTR3AHTR2AMCHR1TSHR
SCHEMBL1104755 0.76 KDM4E (0.51) KDM4EALDH1A1
SCHEMBL1104756 0.76 ALDH1A1 (0.54) HTR2CHTR3EHTR3BHTR1AHTR3A
SCHEMBL31368273 0.75 HTR2C (0.43) HTR2CHTR3EHTR3BHTR1AHTR3A
Hydrochloric Acid SCHEMBL20139551 0.74 HTR2A (0.49) HTR2CHTR3AHTR2AMCHR1TSHR
SCHEMBL1104761 0.74 MEN1 (0.51) MAPTKDM4EALDH1A1
SCHEMBL1104771 0.73 MEN1 (0.54) TP53MAPTKDM4EALDH1A1
SCHEMBL10095060 0.73 HTR7 (0.42) HTR2CHTR1AHTR2ATP53TSHR

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 HTR2C 360/4885HTR3E 621/4885HTR3B 399/4885
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 HTR2C 360/4885HTR3E 621/4885HTR3B 399/4885

“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.