SCHEMBL13057442

SCHEMBL13057442

Cc1ncc(Cl)c(NC2CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.45
GABBR1 Q9UBS5 4/20 0.45
CHRM4 P08173 3/20 0.44
CYP3A4 P08684 2/20 0.44
KMT2A Q03164 1/20 0.41
CDK7 P50613 3/20 0.39
CDK9 P50750 3/20 0.39
JAK1 P23458 4/20 0.38
JAK2 O60674 3/20 0.38
PIK3CA P42336 1/20 0.38
PDE10A Q9Y233 1/20 0.37
CRHR1 P34998 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
HDAC3 O15379 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL844926 0.81 KMT2A (0.58) CHRM4CYP3A4KMT2ACDK7CDK9
SCHEMBL28151054 0.79 BCL6 (0.50) CHRM4CYP3A4KMT2ACDK7CDK9
SCHEMBL13057434 0.77 IRAK1 (0.41) CHRM4CYP3A4
SCHEMBL4186011 0.76 GABBR2 (0.43) GABBR2GABBR1CHRM4CYP3A4KMT2A
SCHEMBL993784 0.75 KMT2A (0.64) KMT2APDE10A
SCHEMBL1934159 0.75 KMT2A (0.69) KMT2APDE10APDE4A
SCHEMBL8546608 0.75 LRRK2 (0.50) JAK2
SCHEMBL3119338 0.75 CRHR1 (0.59) GABBR2GABBR1CRHR1
SCHEMBL1937546 0.74 KMT2A (0.71) KMT2APDE10APDE4A
SCHEMBL24435731 0.73 GABBR2 (0.50) GABBR2GABBR1

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-8759356-B2 Compounds and methods for controlling fungi DOW AGROSCIENCES, LLC. (US) 2014-06-24 US disclosed
US-20100298143-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI DOW AGROSCIENCES LLC (US) 2010-11-25 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 (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-20100298143-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI C5, CBR3, CBR1 GABBR2 469/4885GABBR1 279/4885CHRM4 172/4885

“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.