SCHEMBL3514288

SCHEMBL3514288

Nc1ncc(-c2ccc3ncc(-c4ccc(C(=O)NCCn5ccnc5)cc4F)n3n2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.44
NAMPT P43490 2/20 0.42
FYN P06241 7/20 0.40
PIK3CA P42336 1/20 0.40
CAMK2D Q13557 2/20 0.38
IKBKB O14920 1/20 0.38
POLB P06746 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3515961 0.90 TNF (0.47) TNFNAMPTFYNPIK3CACAMK2D
SCHEMBL3514034 0.86 PIK3CA (0.41) TNFFYNPIK3CAKDM4E
SCHEMBL3515987 0.84 CAMK2D (0.52) TNFPIK3CACAMK2D
SCHEMBL12985812 0.84 TNF (0.46) TNFFYNPIK3CACAMK2DIKBKB
SCHEMBL3514650 0.82 CAMK2D (0.48) TNFNAMPTPIK3CACAMK2DKDM4E
SCHEMBL3513008 0.74 CAMK2D (0.56) TNFPIK3CACAMK2DIKBKB
SCHEMBL12985962 0.74 TNF (0.49) TNFFYNPIK3CACAMK2DIKBKB
SCHEMBL3515983 0.73 CAMK2D (0.56) TNFPIK3CACAMK2DIKBKB
SCHEMBL3516061 0.72 PDE4B (0.47) TNFPIK3CACAMK2D
SCHEMBL3516403 0.72 MKNK1 (0.51) TNFPIK3CACAMK2DIKBKBKDM4E

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 1981/4885NAMPT 1244/4885FYN 425/4885

“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.