SCHEMBL406314

SCHEMBL406314

O=C(NC1CCC(O)CC1)c1cnn2ccc(Nc3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.61
JAK1 P23458 3/20 0.61
TYK2 P29597 3/20 0.61
JAK3 P52333 3/20 0.61
NTRK1 P04629 12/20 0.61
PIM1 P11309 1/20 0.56
FLT3 P36888 1/20 0.56
PIM2 Q9P1W9 1/20 0.56
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
GPR52 Q9Y2T5 1/20 0.50
TGFBR1 P36897 1/20 0.49

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
SCHEMBL10191608 1.00 JAK2 (0.61) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL403558 0.90 JAK2 (0.62) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL15428599 0.83 JAK2 (0.68) JAK2JAK1TYK2JAK3PIM1
SCHEMBL16747660 0.81 JAK2 (0.66) JAK2JAK1TYK2JAK3
SCHEMBL406802 0.81 JAK2 (0.71) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL402655 0.78 NTRK1 (0.68) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL402226 0.77 JAK2 (0.58) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL404578 0.77 TGFBR1 (0.49) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL405829 0.76 TGFBR1 (0.58) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL404082 0.76 JAK2 (1.00) JAK2JAK1TYK2JAK3FLT3

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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 18/4885

“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.