SCHEMBL22249446

SCHEMBL22249446

Nc1nc(NCCO)c2c(Cl)cc(-c3cc[nH]n3)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.40
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
ILK Q13418 1/20 0.36
EGFR P00533 2/20 0.36
PTPN1 P18031 1/20 0.35
APP P05067 4/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC2A1 P11166 1/20 0.34
BRAF P15056 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
RAD52 P43351 1/20 0.34
CYP2C9 P11712 2/20 0.34

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
SCHEMBL22234168 0.93 ILK (0.39) CHUKCYP2D6ILKEGFRSMN1; SMN2
SCHEMBL22249445 0.86 CHUK (0.40) CHUKCYP2D6CYP2C19KDM4EMAPK1
SCHEMBL22234500 0.84 CYP2D6 (0.42) CHUKCYP2D6EGFRAPPRAD52
SCHEMBL22249443 0.84 APP (0.39) EGFRAPP
SCHEMBL30930059 0.81 ILK (0.37) CHUKCYP2D6ILKCYP2C9SYK
SCHEMBL22234415 0.81 ILK (0.37) CHUKCYP2D6ILKCYP2C9SYK
SCHEMBL22234173 0.80 TLR8 (0.37) CYP2D6KDM4EILKALDH1A1CYP2C9
SCHEMBL22234422 0.80 ILK (0.38) CHUKCYP2D6ILKCYP2C9SYK
SCHEMBL22256141 0.80 TLR8 (0.38) CHUKCYP2D6CYP2C19KDM4EMAPK1
SCHEMBL22249395 0.78 CYP2D6 (0.44) CYP2D6ILKEGFRAPPRAD52

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-20220089571-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2022-03-24 US disclosed
WO-2020150113-A1 SUBSTITUTED QUINAZOLINES AS NLRP3 MODULATORS, FOR USE IN THE TREATMENT OF CANCER INNATE TUMOR IMMUNITY, INC. (US) 2020-07-23 WO 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-20220089571-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD CHUK 339/4885CYP2D6 1467/4885CYP2C19 1104/4885

“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.