SCHEMBL2836181

SCHEMBL2836181

NCCCn1c[c]c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 11/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
HTR2A P28223 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
CYP2D6 P10635 1/20 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
SCHEMBL11903850 0.83 CDK4 (0.40) CDK4CCND1
SCHEMBL7093719 0.82 CNR1 (0.38) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL2784532 0.82 SLC9A1 (0.40) CDK4CCND1
SCHEMBL19713574 0.81 CYP1A2 (0.34) CDK4CCND1HTR2A
SCHEMBL2946816 0.81 CNR2 (0.39) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL8082913 0.81 CDK4 (0.38) CDK4CCND1
SCHEMBL8699910 0.79 SLC9A1 (0.43) CDK4CCND1CYP2D6
SCHEMBL6015764 0.78 PRKCA (0.42) PIM1PRKACAPRKACGPRKACBCDK4
SCHEMBL2805248 0.78 CNR2 (0.41) PRKACAPRKACGPRKACBCYP2D6
SCHEMBL5546751 0.77 SIGMAR1 (0.45) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1949967-B Plant growth regulation BAYER CROPSCIENCE GMBH (DE) 2012-02-01 CN disclosed
US-20100152044-A1 Plant growth regulation BAYER CROPSCIENCE GMBH (DE) 2010-06-17 US disclosed
CN-1949967-A Plant growth regulation BAYER CROPSCIENCE GMBH (DE) 2007-04-18 CN 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-20100152044-A1 Plant growth regulation ING2, GHITM, MYB CAMK2D 353/4885PIM1 1433/4885PRKACA 1709/4885

“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.