SCHEMBL4997700

SCHEMBL4997700

Cc1cc(C)cc(-c2cncc(N3CCN(c4cccc(C)c4)C(C)C3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
MAPT P10636 12/20 0.48
TP53 P04637 8/20 0.48
RXFP1 Q9HBX9 1/20 0.47
LMNA P02545 4/20 0.47
PIK3CD O00329 1/20 0.47
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
DHFR P00374 1/20 0.42

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
SCHEMBL4996808 0.88 MAPT (0.49) TSHRMAPTTP53RXFP1LMNA
SCHEMBL4996721 0.87 MAPT (0.47) TSHRMAPTTP53RXFP1LMNA
SCHEMBL4996916 0.85 GFER (0.49) TSHRMAPTTP53RXFP1LMNA
SCHEMBL4997364 0.81 TSHR (0.46) TSHRMAPTTP53RXFP1LMNA
SCHEMBL4992104 0.81 TSHR (0.46) TSHRMAPTTP53RXFP1LMNA
SCHEMBL4995501 0.77 MAPT (0.49) TSHRMAPTRXFP1LMNAGFER
SCHEMBL5000915 0.75 PIM2 (0.51) TSHRMAPTRXFP1LMNAGFER
SCHEMBL4991478 0.73 CHEK1 (0.43) MAPTSMN1; SMN2DHFR
SCHEMBL5003034 0.72 PIM2 (0.48) TSHRMAPTLMNA
SCHEMBL4987930 0.72 RAD52 (0.42) MAPTDHFR

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 TSHR 2332/4885MAPT 5/4885TP53 551/4885

“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.