SCHEMBL4994876

SCHEMBL4994876

CC(C)(C)c1ccc(-c2cncc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
DHFR P00374 2/20 0.46
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
PHGDH O43175 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 3/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2C P28335 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 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 0.90 PHGDH (0.50) MAPTDHFRKDM4EPOLBPHGDH
SCHEMBL4997452 0.87 MAPT (0.45) MAPTDHFRPIM1PIM3PIM2
SCHEMBL4997628 0.85 POLB (0.48) MAPTDHFRPIM1PIM3PIM2
SCHEMBL4991321 0.85 NPC1 (0.47) MAPTPIM1PIM3PIM2KDM4E
SCHEMBL4995130 0.85 PHGDH (0.49) MAPTDHFRKDM4EPOLBPHGDH
SCHEMBL4994089 0.85 NPSR1 (0.47) MAPTDHFRPIM1PIM3PIM2
SCHEMBL5002997 0.84 MAPT (0.52) MAPTDHFRPIM1PIM3PIM2
SCHEMBL4995172 0.83 PIM1 (0.48) MAPTDHFRPIM1PIM3PIM2
SCHEMBL5003412 0.83 MAPT (0.52) MAPTKDM4EPOLBPHGDHNPSR1
SCHEMBL5000680 0.83 PIM1 (0.51) MAPTDHFRPIM1PIM3PIM2

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 MAPT 5/4885DHFR 1604/4885PIM1 1047/4885

“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.