SCHEMBL3515935

SCHEMBL3515935

Nc1ncc(-c2ccc3nccn3n2)cc1C(F)(F)F.[N]c1ncc(-c2ccc3ncc(Br)n3n2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.52
PIK3CA P42336 4/20 0.44
DYRK1A Q13627 2/20 0.40
JAK2 O60674 2/20 0.40
RET P07949 2/20 0.40
KDR P35968 2/20 0.40
GSK3A P49840 2/20 0.40
RPS6KA3 P51812 2/20 0.40
LIMK1 P53667 2/20 0.40
MAP2K1 Q02750 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
ALK Q9UM73 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
MAPK14 Q16539 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
MAP3K12 Q12852 11/20 0.35
AKT1 P31749 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL3515795 0.85 TNF (0.50) TNFPIK3CADYRK1APIK3CDPIK3CB
SCHEMBL3512871 0.85 TNF (0.68) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12986576 0.84 TNF (0.57) TNFPIK3CADYRK1AJAK2RET
SCHEMBL3514693 0.78 TNF (0.52) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3515087 0.73 TNF (0.69) TNFPIK3CADYRK1APIK3CDPIK3CB
SCHEMBL3515357 0.71 TNF (0.65) TNFPIK3CADYRK1APIK3CDPIK3CB
SCHEMBL3516841 0.69 TNF (0.63) TNFPIK3CADYRK1APIK3CDPIK3CB
SCHEMBL12985683 0.69 TNF (0.63) TNFPIK3CADYRK1APIK3CDPIK3CB
SCHEMBL3512759 0.69 FYN (0.65) TNF
SCHEMBL3514237 0.68 TNF (0.62) TNFPIK3CADYRK1APIK3CDPIK3CB

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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A TNF 1981/4885PIK3CA 10/4885DYRK1A 2632/4885

“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.