SCHEMBL14079289

SCHEMBL14079289

Cc1cc(Nc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)ccc1F

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 6/20 0.69
▸ IGF1R P08069 5/20 0.67
▸ JAK2 O60674 4/20 0.61
▸ JAK3 P52333 2/20 0.61
▸ AURKA O14965 2/20 0.59
▸ AURKB Q96GD4 1/20 0.59
▸ EGFR P00533 1/20 0.58
▸ PLK1 P53350 1/20 0.57
▸ MAPK8 P45983 1/20 0.55
▸ SYK P43405 1/20 0.55
▸ TP53 P04637 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ MAPK1 P28482 1/20 0.54

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
SCHEMBL13485399 0.89 EGFR (0.72) PLK4IGF1RJAK2JAK3EGFR
SCHEMBL3214863 0.87 PLK4 (0.69) PLK4IGF1RJAK2JAK3AURKA
SCHEMBL25709028 0.82 IGF1R (0.76) PLK4IGF1RJAK2JAK3AURKA
SCHEMBL23906597 0.81 IGF1R (0.62) PLK4IGF1RJAK2JAK3AURKA
SCHEMBL30086456 0.81 IGF1R (0.62) PLK4IGF1RJAK2JAK3AURKA
SCHEMBL11340146 0.81 IGF1R (1.00) PLK4IGF1RJAK2JAK3AURKA
SCHEMBL4622752 0.81 AURKA (0.66) PLK4JAK2JAK3AURKAAURKB
SCHEMBL13485388 0.79 JAK2 (0.77) PLK4IGF1RJAK2JAK3EGFR
Formaldehyde SCHEMBL3306379 0.78 JAK2 (0.47) PLK4IGF1RJAK2JAK3AURKA
SCHEMBL29716063 0.78 AURKA (0.58) PLK4IGF1RJAK2JAK3AURKA

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-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 — — 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-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS JAK2, JAK1, JAK3 PLK4 565/4885IGF1R 1726/4885JAK2 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.

Send feedback