SCHEMBL22380822

SCHEMBL22380822

CN(C)c1cnc(-c2cncc(F)c2)nc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.33
CYP11B2 P19099 3/20 0.32
PIM1 P11309 1/20 0.32
CYP11B1 P15538 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABL1 P00519 4/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
CYP2D6 P10635 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
SCHEMBL20849505 0.86 S1PR1 (0.37) IDH1CYP11B2CYP11B1NPSR1HTT
SCHEMBL22380778 0.85 ABL1 (0.36) ABL1CYP3A4
SCHEMBL29855995 0.83 CRHR1 (0.34) ABL1
SCHEMBL20839396 0.83 CRHR1 (0.34) ABL1
SCHEMBL20845417 0.82 ABL1 (0.34) IDH1ABL1
SCHEMBL22372368 0.80 ABL1 (0.34) CYP11B2ABL1CYP2C9CYP2C19
SCHEMBL20853046 0.80 HDAC1 (0.35) ABL1
SCHEMBL20839164 0.78 NQO2 (0.34) IDH1CYP11B2PIM1CYP11B1NPSR1
SCHEMBL20839156 0.78 CYP11B2 (0.38) CYP11B2CYP11B1NPSR1HTTSMN1; SMN2
SCHEMBL30014252 0.78 CYP11B2 (0.38) CYP11B2CYP11B1NPSR1HTTSMN1; SMN2

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-11672251-B2 Herbicidally active pyridyl-/pyrimidyl-pyrimidine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2023-06-13 US disclosed
US-11672251-B2 Herbicidally active pyridyl-/pyrimidyl-pyrimidine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2023-06-13 US disclosed
EP-3684182-B1 HERBICIDALLY ACTIVE PYRIDYL-/PYRIMIDYL-PYRIMIDINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2023-06-07 EP disclosed
US-20200267981-A1 Herbicidally Active Pyridyl-/Pyrimidyl-Pyrimidine Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-08-27 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-20200267981-A1 Herbicidally Active Pyridyl-/Pyrimidyl-Pyrimidine Derivatives PLPBP, PDXK, DPYD IDH1 48/4885CYP11B2 2262/4885PIM1 2030/4885
US-11672251-B2 Herbicidally active pyridyl-/pyrimidyl-pyrimidine derivatives PLPBP, PDXK, DPYD IDH1 48/4885CYP11B2 2262/4885PIM1 2030/4885

“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.