SCHEMBL4704464

SCHEMBL4704464

CC(C)(C)C1CCc2nc3sc(C(N)=O)c(N)c3cc2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.62
NPC1 O15118 8/20 0.62
MAPT P10636 8/20 0.62
KDM4E B2RXH2 6/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
ALDH1A1 P00352 6/20 0.61
POLB P06746 2/20 0.61
EEF2K O00418 1/20 0.61
RORC P51449 1/20 0.54
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
GAA P10253 2/20 0.45
HSP90AA1 P07900 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
SCHEMBL5997266 0.88 MAPT (0.66) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL12602297 0.85 RAB9A (0.66) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL5997656 0.84 RORC (0.57) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL13954541 0.83 RORC (0.46) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL5997004 0.82 RORC (0.55) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL5996999 0.82 RORC (0.55) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL5996876 0.80 RORC (0.48) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL22690991 0.79 MAPT (0.61) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL29423180 0.79 MAPT (0.61) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL4704685 0.79 MAPT (0.61) RAB9ANPC1MAPTKDM4ESMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871776-A2 FUSED THIENO[2,3-B]PYRIDINE AND THIAZOLO[5,4-B]PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-01-02 EP disclosed
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION 2006-11-02 US disclosed
WO-2006098961-A2 FUSED THIENO [2, 3-B] PYRIDINE AND THIAZOLO [5, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2006-09-21 WO disclosed

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-20060247320-A1 Compounds for inhibiting KSP kinesin activity KIFC1, KIF5B, KIF2C RAB9A 745/4885NPC1 919/4885MAPT 434/4885

“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.