SCHEMBL4956150

SCHEMBL4956150

N#Cc1ccc(CN2CCC(c3nc(C(N)=O)cs3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 10/20 0.52
TSHR P16473 3/20 0.44
ACHE P22303 1/20 0.43
CXCR3 P49682 1/20 0.43
CYP2C9 P11712 3/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
THRB P10828 1/20 0.41
PRKAB2 O43741 2/20 0.41
PRKAG1 P54619 2/20 0.41
PRKAA1 Q13131 2/20 0.41
PRKAG3 Q9UGI9 2/20 0.41
PRKAG2 Q9UGJ0 2/20 0.41
PRKAB1 Q9Y478 2/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL28085168 0.78 PRKAA2 (0.55) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3065897 0.76 HRH3 (0.46) DPP4THRB
SCHEMBL2187468 0.75 CHRM4 (0.48) PRKAA2TSHRALDH1A1CYP2D6MEN1
SCHEMBL518546 0.74 HRH3 (0.61) PRKAA2TSHRACHECYP2C9ALDH1A1
SCHEMBL417065 0.74 JAK2 (0.47) PRKAA2ACHEMEN1KMT2ATHRB
SCHEMBL2140250 0.74 NFKB1 (0.57) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL12467241 0.73 HTR2B (0.42) ACHE
SCHEMBL5262607 0.73 ALDH1A1 (0.50) TSHRALDH1A1CYP2D6
SCHEMBL28020356 0.72 SPR (0.44) TSHRACHEPIK3CA
SCHEMBL21944903 0.72 EGFR (0.46) CYP2C9ALDH1A1CYP2D6MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE 4SC AG (DE) 2008-10-02 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-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE IL2, IL17A, IFNG PRKAA2 1232/4885TSHR 3692/4885ACHE 4839/4885

“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.