SCHEMBL12985658

SCHEMBL12985658

Nc1ncc(-c2cnc3ccc(-c4ccc(OC5(CNC(=O)C6CC6)COC5)cc4)nn23)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.43
▸ PIK3CA P42336 9/20 0.41
▸ DYRK1A Q13627 3/20 0.37
▸ PIK3CD O00329 2/20 0.37
▸ PIK3CB P42338 2/20 0.37
▸ PIK3CG P48736 2/20 0.37
▸ FYN P06241 3/20 0.36
▸ NTRK1 P04629 2/20 0.35
▸ NTRK3 Q16288 2/20 0.35
▸ NTRK2 Q16620 2/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ ATR Q13535 1/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL12985623 0.90 PIK3CA (0.42) TNFPIK3CADYRK1APIK3CDPIK3CB
SCHEMBL3517518 0.86 TNF (0.47) TNFPIK3CADYRK1APIK3CDPIK3CB
SCHEMBL12986347 0.85 TNF (0.43) TNFPIK3CADYRK1APIK3CDPIK3CB
SCHEMBL12985818 0.85 TNF (0.47) TNFPIK3CADYRK1APIK3CDPIK3CB
SCHEMBL12986314 0.84 TNF (0.46) TNFPIK3CADYRK1APIK3CDPIK3CB
SCHEMBL3517515 0.82 TNF (0.49) TNFPIK3CADYRK1APIK3CDPIK3CB
SCHEMBL12985887 0.81 TNF (0.48) TNFPIK3CADYRK1APIK3CDPIK3CB
SCHEMBL12986612 0.80 TNF (0.47) TNFPIK3CADYRK1APIK3CDPIK3CB
SCHEMBL12986043 0.80 TNF (0.46) TNFPIK3CADYRK1APIK3CDPIK3CB
SCHEMBL3514694 0.80 PIK3CA (0.47) 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 2 patents. 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
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.

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