SCHEMBL3216008

SCHEMBL3216008

O=C(O)NC1CC=C(c2c[nH]c3cccnc23)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.44
JAK1 P23458 4/20 0.44
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
HTR1D P28221 9/20 0.36
FLT3 P36888 2/20 0.36
JAK3 P52333 2/20 0.35
HTR1E P28566 2/20 0.35
HTR1A P08908 1/20 0.35
CCR2 P41597 1/20 0.35
CYP2C19 P33261 1/20 0.34
KDR P35968 1/20 0.33
GSK3B P49841 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL3211442 0.89 HTR1D (0.46) JAK2JAK1CDK7CDK9HTR1D
SCHEMBL3217516 0.89 JAK3 (0.46) JAK2JAK1CDK7CDK9HTR1D
SCHEMBL3220493 0.87 CDK7 (0.42) JAK2JAK1CDK7CDK9FLT3
SCHEMBL3217678 0.87 CDK7 (0.45) JAK2JAK1CDK7CDK9HTR1D
SCHEMBL3214861 0.81 JAK3 (0.39) JAK2JAK1CDK7CDK9HTR1D
SCHEMBL3661903 0.77 HTR1D (0.44) JAK1CDK7CDK9HTR1DFLT3
SCHEMBL3225505 0.77 JAK2 (0.46) JAK2JAK1CDK7CDK9HTR1D
SCHEMBL3622286 0.77 FLT3 (0.35) JAK2JAK1CDK7CDK9HTR1D
SCHEMBL3221635 0.76 JAK2 (0.45) JAK2JAK1CDK7CDK9HTR1D
SCHEMBL7951141 0.76 HTR1D (0.41) JAK2JAK1CDK7CDK9HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 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-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR4, HTR3B JAK2 1004/4885JAK1 3321/4885CDK7 537/4885

“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.