SCHEMBL2544765

SCHEMBL2544765

NC(=O)CSc1c[nH]nn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
STAT3 P40763 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL9015555 0.74
SCHEMBL16588896 0.73 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPTKMT2AGAA
SCHEMBL9371676 0.70
SCHEMBL7433276 0.70 SMN1; SMN2 (0.40) SMN1; SMN2STAT3ALDH1A1MAPTKMT2A
SCHEMBL9994085 0.70
SCHEMBL8442599 0.70
SCHEMBL6588550 0.70
SCHEMBL3922217 0.69
SCHEMBL4311271 0.67 POLB (0.36) SMN1; SMN2ALDH1A1MAPTKMT2ARAB9A
SCHEMBL11486895 0.67

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-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2011-10-20 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-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics CHKA, CHKB, CEPT1 SMN1; SMN2 3409/4885STAT3 3258/4885ALDH1A1 1482/4885

“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.