SCHEMBL4997628

SCHEMBL4997628

OCc1ccc(-c2cncc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PHGDH O43175 3/20 0.46
CYP2D6 P10635 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 3/20 0.44
DHFR P00374 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44

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
SCHEMBL4997745 0.86 PHGDH (0.50) POLBKDM4EPHGDHCYP2D6CYP2C19
SCHEMBL4994876 0.85 MAPT (0.46) POLBKDM4EPHGDHNPSR1MEN1
SCHEMBL5003018 0.84 PIM2 (0.43) MEN1KMT2AALDH1A1PIM2HTR7
SCHEMBL4997452 0.83 MAPT (0.45) POLBKDM4EPHGDHNPSR1KMT2A
SCHEMBL4997711 0.83 SORD (0.47) MAPTALDH1A1NFKB1SMN1; SMN2PIM2
SCHEMBL4994089 0.83 NPSR1 (0.47) POLBKDM4EPHGDHNPSR1LMNA
SCHEMBL4996182 0.82 ALDH1A1 (0.52) KDM4ELMNADHFRMAPTALDH1A1
SCHEMBL4995130 0.81 PHGDH (0.49) POLBKDM4EPHGDHNPSR1MEN1
SCHEMBL5003298 0.80 MAPT (0.44) POLBKDM4EPHGDHNPSR1MEN1
SCHEMBL5003393 0.80 KDM4E (0.53) POLBKDM4EPHGDHNPSR1KMT2A

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 POLB 889/4885KDM4E 3445/4885PHGDH 1213/4885

“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.