SCHEMBL21719005

SCHEMBL21719005

COCOc1cccc(I)c1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
EGFR P00533 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
FYN P06241 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
IGF1R P08069 1/20 0.31
MET P08581 1/20 0.31
PDGFRB P09619 1/20 0.31
PIM1 P11309 1/20 0.31
FGFR1 P11362 1/20 0.31
PRKACA P17612 1/20 0.31
LTK P29376 1/20 0.31
GRK5 P34947 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
SCHEMBL21718432 0.85 L3MBTL1 (0.35) SMN1; SMN2
SCHEMBL22043131 0.82 ALDH1A1 (0.41)
SCHEMBL21718431 0.82 SMN1; SMN2 (0.41) PTPN1EGFRSMN1; SMN2
SCHEMBL21718430 0.81 PTPN1 (0.46) PTPN1EGFRSMN1; SMN2CHEK1AURKA
SCHEMBL21718858 0.80 CA1 (0.42) SMN1; SMN2APP
SCHEMBL21719031 0.79 PTPN1 (0.36) PTPN1EGFRSMN1; SMN2CHEK1AURKA
SCHEMBL21718863 0.79 KCNN4 (0.39) PTPN1EGFRSMN1; SMN2CHEK1AURKA
SCHEMBL21718862 0.79 L3MBTL1 (0.36) PTPN1EGFRSMN1; SMN2
SCHEMBL2292458 0.77 APP (0.39) PTPN1EGFRSMN1; SMN2APP
SCHEMBL29403193 0.77 APP (0.39) PTPN1EGFRSMN1; SMN2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 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 (4 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-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 PTPN1 536/4885EGFR 4127/4885SMN1; SMN2 4427/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK PTPN1 173/4885EGFR 4139/4885SMN1; SMN2 3624/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK PTPN1 173/4885EGFR 4139/4885SMN1; SMN2 3624/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 PTPN1 536/4885EGFR 4127/4885SMN1; SMN2 4427/4885

“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.