SCHEMBL4993013

SCHEMBL4993013

Cc1cccc(-c2cncc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49
MAPT P10636 4/20 0.48
PHGDH O43175 1/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.45
DHFR P00374 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2C P28335 1/20 0.43

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 0.83 PHGDH (0.50) MAPTPHGDHKMT2ATSHRNPSR1
SCHEMBL4995130 0.82 PHGDH (0.49) MAPTPHGDHKMT2ATSHRNPSR1
SCHEMBL5000640 0.82 RAF1 (0.51) RAF1BRAFMAPTPHGDHKMT2A
SCHEMBL5000894 0.80 HTR7 (0.44) RAF1BRAFMAPTTSHRNPSR1
SCHEMBL4994876 0.80 MAPT (0.46) MAPTPHGDHKMT2ATSHRNPSR1
SCHEMBL4995538 0.79 HTR7 (0.42) MAPTTSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL4995326 0.78 MAPT (0.58) RAF1BRAFMAPTPHGDHKMT2A
SCHEMBL4997452 0.78 MAPT (0.45) MAPTPHGDHKMT2ATSHRNPSR1
SCHEMBL4994089 0.77 NPSR1 (0.47) MAPTPHGDHTSHRNPSR1SMN1; SMN2
SCHEMBL5003393 0.77 KDM4E (0.53) RAF1BRAFMAPTPHGDHKMT2A

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 RAF1 1087/4885BRAF 478/4885MAPT 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.