SCHEMBL3516403

SCHEMBL3516403

Nc1ncc(-c2ccc3ncc(-c4ccc(C(=O)NCCCN5CCOCC5)cc4)n3n2)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
CAMK2D Q13557 1/20 0.51
PIK3CA P42336 1/20 0.49
TNF P01375 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CD274 Q9NZQ7 4/20 0.47
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
JAK1 P23458 1/20 0.46
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
IKBKB O14920 3/20 0.44
CHUK O15111 1/20 0.44
MAPK10 P53779 1/20 0.44

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
SCHEMBL3513008 0.95 CAMK2D (0.56) MKNK1MKNK2CAMK2DPIK3CATNF
SCHEMBL3515983 0.92 CAMK2D (0.56) CAMK2DPIK3CATNFCD274ALDH1A1
SCHEMBL3514650 0.91 CAMK2D (0.48) MKNK1MKNK2CAMK2DPIK3CATNF
SCHEMBL3513489 0.90 IKBKB (0.48) MKNK1MKNK2CAMK2DPIK3CATNF
SCHEMBL3513309 0.88 PIK3CA (0.50) CAMK2DPIK3CATNFJAK1KDM4E
SCHEMBL3516131 0.86 MKNK1 (0.55) MKNK1MKNK2CAMK2DPIK3CATNF
SCHEMBL3515987 0.86 CAMK2D (0.52) CAMK2DPIK3CATNFCD274
SCHEMBL3513315 0.86 TNF (0.51) PIK3CATNFPTGS1PTGS2JAK1
SCHEMBL12985962 0.86 TNF (0.49) MKNK1MKNK2CAMK2DPIK3CATNF
SCHEMBL3514542 0.85 IKBKB (0.53) CAMK2DPIK3CATNFCD274JAK1

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 MKNK1 109/4885MKNK2 149/4885CAMK2D 732/4885

“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.