SCHEMBL18019554

SCHEMBL18019554

CCOC(=O)N(C)c1cn(-c2cncnc2)nc1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.36
RAB9A P51151 5/20 0.36
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
PDE4D Q08499 3/20 0.33
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 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
SCHEMBL18019553 0.87 MAP3K5 (0.33) MAPK1
SCHEMBL18019556 0.84 DGAT1 (0.37) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL17980256 0.84 IRAK4 (0.32)
SCHEMBL18019546 0.84 LMNA (0.32) NPSR1LMNA
SCHEMBL14904644 0.81 PKM (0.30)
SCHEMBL15356708 0.79
SCHEMBL15363463 0.79 MAP3K5 (0.31)
SCHEMBL18019543 0.76
SCHEMBL17980321 0.76 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2NPSR1
SCHEMBL15975700 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10905123-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2021-02-02 US disclosed
EP-3255989-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-09-16 EP disclosed
US-20180027815-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-02-01 US disclosed
US-20180027815-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-02-01 US disclosed
WO-2016128266-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-18 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 (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-20180027815-A1 HERBICIDAL COMPOUNDS DDT, HPD, PDXK NPC1 4820/4885RAB9A 3131/4885ALDH1A1 404/4885
US-10905123-B2 Herbicidal compounds DDT, HPD, PDXK NPC1 4820/4885RAB9A 3131/4885ALDH1A1 404/4885

“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.