SCHEMBL17898201

SCHEMBL17898201

Fc1cc(F)cc(CN2CCCC(c3ccnc(CCCN4CCCC4)n3)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.45
CTSK P43235 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAP4K4 O95819 4/20 0.41
DRD2 P14416 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HTR1A P08908 5/20 0.40
HRH3 Q9Y5N1 3/20 0.38
CYP2D6 P10635 1/20 0.37
HRH1 P35367 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
SCHEMBL17898203 0.91 CTSK (0.42) PDE2ACTSKKCNH2MAP4K4DRD2
SCHEMBL17898200 0.84 PROKR1 (0.45) KCNH2HRH3
SCHEMBL20746672 0.82 PDE2A (0.47) PDE2AMAP4K4HTR1A
SCHEMBL15538759 0.81 PDE2A (0.49) PDE2AMAP4K4HTR1ACYP2D6HRH1
SCHEMBL17901759 0.73 SLC6A3 (0.45) MAP4K4DRD2SLC6A4SLC6A3HRH3
SCHEMBL17901757 0.73 MAP4K4 (0.46) MAP4K4DRD2SLC6A4SLC6A3HTR1A
SCHEMBL17898209 0.69 PROKR1 (0.46)
SCHEMBL15537231 0.67 PDE2A (0.45) PDE2AKCNH2DRD2HTR1ACYP2D6
SCHEMBL17898213 0.66 CYP3A4 (0.53) PDE2AKCNH2DRD2HTR1AHRH3
SCHEMBL17898220 0.65 HRH1 (0.45) HRH3HRH1

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-10562883-B2 Heterocycles capable of modulating T-cell responses, and methods of using same NOGRA PHARMA LIMITED (IE) 2020-02-18 US disclosed
US-10208017-B2 Heterocycles capable of modulating T-cell responses, and methods of using same NOGRA PHARMA LIMITED (IE) 2019-02-19 US disclosed
US-20160194303-A1 HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LIMITED (IE) 2016-07-07 US disclosed
US-20160194303-A1 HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LIMITED (IE) 2016-07-07 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 (3 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-20160194303-A1 HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME ICOS, NFATC1, CD74 PDE2A 706/4885CTSK 758/4885KCNH2 3811/4885
US-10562883-B2 Heterocycles capable of modulating T-cell responses, and methods of using same ICOS, NFATC1, CD74 PDE2A 706/4885CTSK 758/4885KCNH2 3811/4885
US-10208017-B2 Heterocycles capable of modulating T-cell responses, and methods of using same ICOS, NFATC1, CD74 PDE2A 706/4885CTSK 758/4885KCNH2 3811/4885

“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.