SCHEMBL21721149

SCHEMBL21721149

CC(C)(C)n1ncc(N)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GALR3 O60755 1/20 0.31
NR2F2 P24468 1/20 0.31
GPR183 P32249 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR35 Q9HC97 1/20 0.31
DAPK3 O43293 1/20 0.30
RIPK2 O43353 1/20 0.30
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30
CYP1A2 P05177 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
YES1 P07947 1/20 0.30
LYN P07948 1/20 0.30
HCK P08631 1/20 0.30

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
SCHEMBL15651684 0.79 LRRK2 (0.33)
SCHEMBL9930409 0.79 KIT (0.33)
SCHEMBL31319680 0.78
SCHEMBL21718646 0.78 TSHR (0.35) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL21720764 0.77 SMN1; SMN2 (0.33) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL11272569 0.76 SMN1; SMN2 (0.46) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL20843896 0.76 CYP1A2 (0.35) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL15650816 0.76 HPGD (0.34) SMN1; SMN2CYP1A2HPGD
SCHEMBL15652189 0.75 CYP26A1 (0.32) NPC1RAB9A
SCHEMBL21720355 0.74 MEN1 (0.34) SMN1; SMN2LMNAMEN1NPC1GALR3

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 2 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-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 (2 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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK SMN1; SMN2 3624/4885LMNA 2672/4885MEN1 511/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK SMN1; SMN2 3624/4885LMNA 2672/4885MEN1 511/4885

“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.