SCHEMBL3517595

SCHEMBL3517595

NC(=O)c1ccc(-c2ccc3ncc(-c4ccc(C(N)=O)cc4)n3n2)cc1

nearest known ligand 0.90

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FYN P06241 18/20 0.90
PIK3CA P42336 1/20 0.73
ATR Q13535 1/20 0.73
GRK5 P34947 2/20 0.62
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55

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
SCHEMBL16331572 0.95 FYN (1.00) FYNPIK3CAATRGRK5
SCHEMBL18613614 0.87 FYN (1.00) FYNPIK3CAATR
SCHEMBL18613723 0.86 FYN (1.00) FYNPIK3CAATRGRK5
SCHEMBL3513230 0.86 FYN (0.68) FYNPIK3CAATRGRK5MKNK1
SCHEMBL16620685 0.86 FYN (0.68) FYNPIK3CAATRGRK5MKNK1
SCHEMBL16554495 0.85 FYN (0.87) FYNPIK3CAATR
SCHEMBL22131031 0.85 FYN (1.00) FYNPIK3CAATR
SCHEMBL3512864 0.85 PIK3CA (1.00) FYNPIK3CAATR
SCHEMBL3514443 0.85 PIK3CA (0.91) FYNPIK3CAATR
SCHEMBL3514282 0.84 FYN (0.66) FYNPIK3CAATRGRK5

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
EP-2155202-A2 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AND 3,5-DISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP claimed
WO-2008138889-A2 3, 6-DISUBSTITUTED-IMIDAZO [1, 2-B] PYRIDAZINES AND 3, 5-DISUBSTITUTED PYRAZOLO[1, 5-A] PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO claimed
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 10/4885ATR 2158/4885

“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.