SCHEMBL14670644

SCHEMBL14670644

CN1CCN(c2ccc(Nc3nc(NC4CCC4)c4cc[nH]c4n3)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.75
BTK Q06187 4/20 0.73
SYK P43405 2/20 0.61
PTK2 Q05397 2/20 0.60
TTK P33981 6/20 0.58
EGFR P00533 1/20 0.58
PIK3CB P42338 1/20 0.57
MAPK8 P45983 1/20 0.57
JAK2 O60674 1/20 0.56
BRD4 O60885 1/20 0.56
IRAK4 Q9NWZ3 2/20 0.56
PAK4 O96013 1/20 0.55
ADORA3 P0DMS8 1/20 0.52

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
SCHEMBL12085388 0.89 JAK3 (0.73) JAK3BTKSYKPTK2TTK
SCHEMBL1019228 0.89 JAK3 (0.66) JAK3BTKSYKPTK2TTK
SCHEMBL30298492 0.89 JAK3 (0.65) JAK3BTKSYKPTK2TTK
SCHEMBL24243321 0.87 JAK3 (0.76) JAK3BTKSYKPTK2TTK
SCHEMBL22496867 0.86 JAK3 (1.00) JAK3BTKSYKPTK2EGFR
SCHEMBL17856870 0.86 TTK (0.73) JAK3BTKSYKPTK2TTK
SCHEMBL22496724 0.85 JAK3 (1.00) JAK3BTKEGFR
SCHEMBL22497007 0.85 JAK3 (1.00) JAK3BTKEGFR
SCHEMBL22496725 0.85 JAK3 (1.00) JAK3BTKEGFR
SCHEMBL12085415 0.85 JAK3 (0.58) JAK3BTKSYKPTK2TTK

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-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 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-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 JAK3 6/4885BTK 2/4885SYK 1/4885

“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.