SCHEMBL22374686

SCHEMBL22374686

Cn1cc(C(=O)Nc2sc3c(c2C#N)CCN(C(=O)c2ccc(Br)o2)C3)cn1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 5/20 0.84
ALDH1A1 P00352 8/20 0.53
MAPT P10636 8/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
NPSR1 Q6W5P4 4/20 0.53
LMNA P02545 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MITF O75030 1/20 0.53
POLB P06746 1/20 0.53
CASP6 P55212 1/20 0.53
PAX8 Q06710 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 6/20 0.51
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
GRM1 Q13255 2/20 0.49

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
SCHEMBL28447321 0.85 STAT3 (0.62) STAT3ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL28466631 0.84 STAT3 (0.73) STAT3ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL28445497 0.82 STAT3 (0.64) STAT3ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL28447880 0.80 STAT3 (0.70) STAT3ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL28451230 0.79 STAT3 (0.67) STAT3ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL28451575 0.79 STAT3 (0.64) STAT3ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL28453179 0.79 STAT3 (0.68) STAT3ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL28453176 0.79 STAT3 (0.62) STAT3ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL28445495 0.78 STAT3 (0.62) STAT3ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL28444266 0.77 STAT3 (0.63) STAT3ALDH1A1MAPTSMN1; SMN2MEN1

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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 STAT3 806/4885ALDH1A1 3756/4885MAPT 1352/4885

“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.