SCHEMBL5700291

SCHEMBL5700291

CN(C)c1cncc(I)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRM5 P08912 1/20 0.37
CHKA P35790 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
APP P05067 5/20 0.34
EGFR P00533 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TERT O14746 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
NOX3 Q9HBY0 1/20 0.31

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
SCHEMBL7672406 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2ACHRM5
SCHEMBL723096 0.73
SCHEMBL1532835 0.71 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2ACHRM5
SCHEMBL5260389 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ACHRM5
SCHEMBL17039295 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ACHRM5
SCHEMBL7672402 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ACHRM5
SCHEMBL18221641 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ACHRM5
SCHEMBL18482672 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ACHRM5
SCHEMBL827241 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ACHRM5
SCHEMBL31509781 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ACHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021057975-A1 MUTANT IDH2 INHIBITOR AND APPLICATION THEREOF 贝达药业股份有限公司 2021-04-01 WO disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 EP 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 ALDH1A1 3993/4885KDM4E 2983/4885MEN1 149/4885

“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.