SCHEMBL3514853

SCHEMBL3514853

COc1cc(-c2cnc3ccc(-c4cnc(N)c(C(F)(F)F)c4)nn23)ccc1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.48
LRRK2 Q5S007 1/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
TNF P01375 2/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
PIM1 P11309 1/20 0.41
FYN P06241 9/20 0.41
ATR Q13535 1/20 0.40
MTOR P42345 1/20 0.39
GAK O14976 1/20 0.38

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
SCHEMBL3514354 0.93 PIK3CA (0.51) PIK3CALRRK2PIK3CDPIK3CBPIK3CG
SCHEMBL3517685 0.88 MKNK1 (0.54) TNFMKNK1MKNK2PIM1FYN
SCHEMBL12986349 0.87 TNF (0.47) PIK3CATNFMKNK1MKNK2PIM1
SCHEMBL3514636 0.84 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL3513780 0.83 FYN (0.48) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL3516142 0.83 TNF (0.48) PIK3CALRRK2TNFMKNK1MKNK2
SCHEMBL3514608 0.83 PIK3CA (0.47) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL3513040 0.82 PDE4B (0.52) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL3514509 0.82 TNF (0.59) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL3513309 0.81 PIK3CA (0.50) PIK3CAPIK3CDPIK3CBPIK3CGTNF

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 3 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 claimed
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 PIK3CA 10/4885LRRK2 2532/4885PIK3CD 12/4885

“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.