SCHEMBL4997745

SCHEMBL4997745

Cc1ccc(-c2cncc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.50
MAPT P10636 6/20 0.49
NPSR1 Q6W5P4 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
POLB P06746 3/20 0.48
TSHR P16473 3/20 0.48
GAA P10253 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
DHFR P00374 1/20 0.47

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
SCHEMBL4994876 0.90 MAPT (0.46) PHGDHMAPTNPSR1KMT2AMEN1
SCHEMBL4995130 0.90 PHGDH (0.49) PHGDHMAPTNPSR1KMT2AMEN1
SCHEMBL4997452 0.88 MAPT (0.45) PHGDHMAPTNPSR1KMT2APOLB
SCHEMBL4993709 0.86 PIM1 (0.49) PHGDHMAPTKMT2ACYP1A2CYP3A4
SCHEMBL4997628 0.86 POLB (0.48) PHGDHMAPTNPSR1KMT2ACYP1A2
SCHEMBL4994089 0.86 NPSR1 (0.47) PHGDHMAPTNPSR1POLBTSHR
SCHEMBL5003412 0.84 MAPT (0.52) PHGDHMAPTNPSR1KMT2ACYP1A2
SCHEMBL5003298 0.83 MAPT (0.44) PHGDHMAPTNPSR1KMT2AMEN1
SCHEMBL4993619 0.83 DHFR (0.46) MAPTKMT2AMEN1GAADHFR
SCHEMBL5002997 0.83 MAPT (0.52) MAPTNPSR1CYP1A2CYP2C19CYP2C9

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 PHGDH 1213/4885MAPT 5/4885NPSR1 2808/4885

“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.