SCHEMBL3514196

SCHEMBL3514196

Nc1ncc(-c2ccc3ncc(-c4ccc(C(=O)N5CCN(Cc6cccnc6)CC5)c(F)c4)n3n2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.45
FYN P06241 7/20 0.42
DYRK1A Q13627 1/20 0.41
TACR3 P29371 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
PARP1 P09874 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL3513780 0.91 FYN (0.48) TNFFYNKDM4EPIK3CAMTOR
SCHEMBL3512904 0.90 TNF (0.47) TNFFYN
SCHEMBL3513643 0.90 TNF (0.47) TNFFYNTACR3KDM4EALDH1A1
SCHEMBL3515819 0.88 TNF (0.49) TNFFYNTACR3KDM4EALDH1A1
SCHEMBL3514677 0.86 TNF (0.49) TNFFYNDYRK1AMKNK1MKNK2
SCHEMBL3516142 0.85 TNF (0.48) TNFMKNK1MKNK2PARP1PIK3CA
SCHEMBL3514839 0.84 TNF (0.47) TNFFYNMKNK1MKNK2PIK3CA
SCHEMBL3515930 0.82 TNF (0.49) TNFFYNMKNK1MKNK2
SCHEMBL3512832 0.80 TNF (0.57) TNFFYNDYRK1APIK3CA
SCHEMBL3514636 0.79 PIK3CA (0.48) TNFFYNKDM4EALDH1A1PIK3CA

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 6 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
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 1981/4885FYN 425/4885DYRK1A 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.