SCHEMBL4997430

SCHEMBL4997430

CC(=O)c1cccc(-c2cncc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.51
BRAF P15056 1/20 0.51
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PIM2 Q9P1W9 4/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.45
MDM2 Q00987 1/20 0.45
LMNA P02545 3/20 0.45
ATM Q13315 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PIM1 P11309 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2A1 P68400 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL4995128 0.86 PIM2 (0.55) BRAFSMN1; SMN2PIM2MAPTLMNA
SCHEMBL5002971 0.85 PIM2 (0.50) BRAFKMT2AMEN1PIM2MAPT
SCHEMBL4995130 0.85 PHGDH (0.49) POLBSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL5003109 0.84 ALDH1A1 (0.55) BRAFPIM2MAPTALDH1A1PIM1
SCHEMBL5000640 0.83 RAF1 (0.51) RAF1BRAFPOLBSMN1; SMN2KMT2A
SCHEMBL4997769 0.83 PIM2 (0.52) BRAFSMN1; SMN2PIM2PIM1CSNK2A2
SCHEMBL4997745 0.82 PHGDH (0.50) POLBSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4994876 0.81 MAPT (0.46) POLBSMN1; SMN2KMT2AMEN1PIM2
SCHEMBL4994089 0.81 NPSR1 (0.47) POLBSMN1; SMN2PIM2MAPTALDH1A1
SCHEMBL5003412 0.80 MAPT (0.52) POLBSMN1; SMN2KMT2AMEN1MAPT

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 478/4885POLB 889/4885

“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.