SCHEMBL1551921

SCHEMBL1551921

CC1Cc2ccc(F)cc2C1Nc1nc(N)nc(C(C)(C)F)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
IDO1 P14902 3/20 0.30
ROCK1 Q13464 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL1552319 1.00 KCNH2 (0.33) KCNH2LMNAMAPTIDO1ROCK1
SCHEMBL1551863 1.00 KCNH2 (0.33) KCNH2LMNAMAPTIDO1ROCK1
SCHEMBL1552530 0.89 HTR1A (0.34) LMNAMAPTKDM4ENPC1ALOX15
SCHEMBL1552303 0.89 HTR1A (0.34) LMNAMAPTKDM4ENPC1ALOX15
SCHEMBL1552292 0.89 HTR1A (0.34) LMNAMAPTKDM4ENPC1ALOX15
SCHEMBL1552567 0.85 TSHR (0.35) LMNAMAPTTSHR
SCHEMBL1551812 0.85 TSHR (0.35) LMNAMAPTTSHR
SCHEMBL1552565 0.85 TSHR (0.35) LMNAMAPTTSHR
SCHEMBL1552278 0.85 TSHR (0.35) LMNAMAPTTSHR
SCHEMBL5442927 0.85 TSHR (0.35) LMNAMAPTTSHR

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
EP-2012588-B1 AQUEOUS SUSPENSION CONCENTRATE BAYER CROPSCIENCE AG (DE) 2011-04-27 EP disclosed
EP-1958509-A1 Herbicide combination Bayer CropScience AG (DE) 2008-08-20 EP disclosed
EP-1854355-A1 Aqueous suspension concentrates Bayer CropScience AG (DE) 2007-11-14 EP disclosed
US-20070219095-A1 AQUEOUS SUSPENSION CONCENTRATES BAYER CROPSCIENCE GMBH (DE) 2007-09-20 US disclosed
EP-1790227-A1 Aqueous suspension-concentrates of 2,4-diamino-s-triazine herbicides Bayer CropScience AG (DE) 2007-05-30 EP 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-20070219095-A1 AQUEOUS SUSPENSION CONCENTRATES SLC43A1, AS3MT, SLC7A5 KCNH2 4039/4885LMNA 4673/4885MAPT 1576/4885

“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.