SCHEMBL30052299

SCHEMBL30052299

O=C(Nc1ccnn1-c1ccccc1F)c1cnn2cccnc12

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.77
JAK1 P23458 6/20 0.77
TYK2 P29597 5/20 0.77
JAK3 P52333 4/20 0.77
IRAK4 Q9NWZ3 7/20 0.56
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 2/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
KDM4E B2RXH2 1/20 0.51
NLRP3 Q96P20 1/20 0.51
CYP3A4 P08684 1/20 0.50

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
SCHEMBL11027852 1.00 JAK2 (0.77) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL944472 0.89 JAK2 (0.67) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL11025625 0.89 JAK2 (0.67) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL30053175 0.89 JAK2 (0.67) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL11029149 0.88 JAK2 (0.74) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL30051650 0.88 JAK2 (0.74) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL11031051 0.87 JAK2 (0.77) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL11027949 0.87 JAK2 (1.00) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL30051447 0.87 JAK2 (0.77) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL11027098 0.87 JAK2 (0.77) JAK2JAK1TYK2JAK3IRAK4

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-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2024-05-09 US disclosed
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2022-12-08 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 (2 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-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885TYK2 5/4885
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885TYK2 5/4885

“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.