SCHEMBL3517867

SCHEMBL3517867

NCCCOc1ccc(-c2ccn3ncc(-c4cnc(N)c(C(F)(F)F)c4)c3n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.41
PIM1 P11309 5/20 0.38
PIM2 Q9P1W9 3/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.36
PIK3CD O00329 6/20 0.36
PIK3CA P42336 4/20 0.36
PIK3R1 P27986 3/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
TNF P01375 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3517863 0.88 SCN5A (0.40) SCN5AMAPTSMN1; SMN2LMNAPOLB
SCHEMBL12986281 0.84 PIK3CD (0.38) SCN5AMAPTPIK3CDPIK3CAPIK3R1
SCHEMBL20208577 0.73 SCN5A (0.62) SCN5AMAPTSMN1; SMN2POLB
SCHEMBL3515613 0.73 TNF (0.54) PIM1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3513472 0.71 MAPT (0.67) PIM1PIM2MAPTSMN1; SMN2LMNA
SCHEMBL20190687 0.68 CYP1A2 (0.47) SCN5AMAPTSMN1; SMN2POLB
SCHEMBL23572409 0.64 SCN5A (0.55) SCN5ASMN1; SMN2POLBPIK3CD
SCHEMBL20190393 0.63 SCN5A (0.54) SCN5APIK3CDPIK3CAPIK3CG
SCHEMBL3515610 0.62 TNF (0.52) PIK3CDPIK3CAPIK3CBPIK3CGTNF
SCHEMBL3512840 0.62 TNF (0.52) PIK3CDPIK3CAPIK3CBPIK3CGTNF

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 3 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 disclosed
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 disclosed
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 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 SCN5A 2793/4885PIM1 41/4885PIM2 69/4885

“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.