SCHEMBL3513780

SCHEMBL3513780

COc1cc(-c2cnc3ccc(-c4cnc(N)c(C(F)(F)F)c4)nn23)ccc1C(=O)N1CCN(Cc2cccnc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.48
PIK3CA P42336 3/20 0.48
CFTR P13569 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
TNF P01375 2/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MTOR P42345 1/20 0.40

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
SCHEMBL3514196 0.91 TNF (0.45) FYNPIK3CATNFKDM4EMTOR
SCHEMBL3514636 0.89 PIK3CA (0.48) FYNPIK3CACFTRPIK3CDPIK3CB
SCHEMBL3513643 0.88 TNF (0.47) FYNTNFKDM4E
SCHEMBL3514354 0.86 PIK3CA (0.51) FYNPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3514608 0.85 PIK3CA (0.47) FYNPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3514509 0.84 TNF (0.59) FYNPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3514853 0.83 PIK3CA (0.48) FYNPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3512904 0.81 TNF (0.47) FYNTNF
SCHEMBL3512926 0.80 PIK3CA (0.61) FYNPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3515930 0.80 TNF (0.49) FYNTNF

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 4 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
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 FYN 425/4885PIK3CA 10/4885CFTR 1210/4885

“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.