SCHEMBL5995404

SCHEMBL5995404

CC(=O)Nc1nc2cc3c(nc2s1)CCC(C(C)(C)C)C3

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
MAPT P10636 4/20 0.46
POLB P06746 2/20 0.46
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DYRK1A Q13627 4/20 0.39
RORC P51449 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4706490 0.90 TP53 (0.46) TP53MAPTPOLBRXFP1KDM4E
SCHEMBL4702228 0.83 TP53 (0.38) TP53MAPTPOLBRXFP1KDM4E
SCHEMBL5996329 0.81 TP53 (0.40) TP53MAPTPOLBRXFP1KDM4E
SCHEMBL22690756 0.81 MAPT (0.41) TP53MAPTPOLBRXFP1KDM4E
SCHEMBL22691455 0.81 MAPT (0.41) TP53MAPTPOLBRXFP1KDM4E
SCHEMBL22690753 0.81 MAPT (0.41) TP53MAPTPOLBRXFP1KDM4E
SCHEMBL4704261 0.80 MAPT (0.39) TP53MAPTPOLBRXFP1KDM4E
Hydrochloric Acid SCHEMBL5996085 0.80 MAPT (0.41) TP53MAPTPOLBRXFP1KDM4E
SCHEMBL5996075 0.80 TP53 (0.41) TP53MAPTPOLBRXFP1KDM4E
SCHEMBL4703719 0.77 RORC (0.36) TP53MAPTPOLBKDM4EGAA

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-20060247320-A1 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION 2006-11-02 US 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 TP53 580/4885MAPT 434/4885POLB 859/4885

“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.