SCHEMBL22992131

SCHEMBL22992131

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)CC#N)CC3)CC2=O)c(OC)c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.33
JAK2 O60674 5/20 0.33
JAK1 P23458 5/20 0.33
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM1A O60341 2/20 0.32
KCNH2 Q12809 1/20 0.32
MAPK1 P28482 1/20 0.32
JAK3 P52333 2/20 0.32
TYK2 P29597 1/20 0.32
MAP3K19 Q56UN5 1/20 0.32
BMP2K Q9NSY1 1/20 0.32
CYP2D6 P10635 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
SCHEMBL22941608 0.93 JAK1 (0.36) IRAK4JAK2JAK1KDM4EMEN1
SCHEMBL24120302 0.91 PDCD1LG2 (0.33) IRAK4JAK2JAK1CCNT1CDK9
SCHEMBL22908424 0.90 JAK1 (0.35) IRAK4JAK2JAK1CCNT1CDK9
SCHEMBL29341752 0.90 CYP3A4 (0.35) MEN1ALDH1A1KMT2AKDM1AKCNH2
SCHEMBL21344241 0.89 CYP2D6 (0.42) MEN1ALDH1A1KMT2AMAPK1CYP2D6
SCHEMBL21285032 0.87 CYP2D6 (0.38) MEN1ALDH1A1MAPTKMT2AMAPK1
SCHEMBL22954961 0.85 CCNT1 (0.34) IRAK4JAK2JAK1CCNT1CDK9
SCHEMBL22992234 0.84 GAA (0.38) MEN1ALDH1A1MAPTKMT2A
SCHEMBL21285036 0.84 EPHX2 (0.32)
SCHEMBL22908426 0.84 JAK1 (0.37) IRAK4JAK2JAK1KDM4EMEN1

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-12043599-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2024-07-23 US disclosed
US-12043599-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2024-07-23 US disclosed
EP-3762378-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-05-18 EP disclosed
US-20210047274-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-18 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-20210047274-A1 HERBICIDAL COMPOUNDS DDT, CBR3, GLRX3 IRAK4 4128/4885JAK2 3757/4885JAK1 4526/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 IRAK4 4128/4885JAK2 3757/4885JAK1 4526/4885

“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.