SCHEMBL5000894

SCHEMBL5000894

FC(F)(F)c1cccc(N2CCN(c3cncc(-c4ccccc4Oc4ccccc4)n3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CACNA1G O43497 1/20 0.42
DHFR P00374 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
SMO Q99835 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR1D P28221 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL4994259 0.85 TSHR (0.41) NPSR1MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL4994150 0.80 HTR7 (0.45) HTR7MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL4993013 0.80 RAF1 (0.49) NPSR1MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL4994089 0.79 NPSR1 (0.47) HTR7NPSR1MAPTALDH1A1TSHR
SCHEMBL5000640 0.78 RAF1 (0.51) NPSR1MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL4995326 0.77 MAPT (0.58) HTR7NPSR1MAPTALDH1A1TSHR
SCHEMBL5003412 0.75 MAPT (0.52) NPSR1MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL5003303 0.75 MAPT (0.48) HTR7MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL4997745 0.75 PHGDH (0.50) NPSR1MAPTTSHRSMN1; SMN2DHFR
SCHEMBL4994876 0.74 MAPT (0.46) NPSR1MAPTALDH1A1TSHRSMN1; SMN2

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US claimed

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C HTR7 1289/4885NPSR1 2808/4885MAPT 5/4885

“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.