SCHEMBL1304043

SCHEMBL1304043

O=C(NCCc1nnn(CCF)n1)Nc1nc2ccc(Br)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
DYRK1A Q13627 1/20 0.47
CLK1 P49759 3/20 0.45
PIK3CA P42336 3/20 0.45
PIK3CG P48736 3/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
CLK2 P49760 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1304196 0.89 CLK1 (0.54) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL1304430 0.85 RAB9A (0.52) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL1303014 0.85 PIK3CG (0.54) CLK1PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1303667 0.83 PIK3CD (0.65) CYP3A4CLK1PIK3CAPIK3CGPIK3CD
SCHEMBL1303474 0.83 PIK3CG (0.56) PIK3CAPIK3CGPIK3CDPIK3CBABL1
SCHEMBL2994975 0.82 PIK3CG (0.68) PIK3CAPIK3CGPIK3CDABL1
SCHEMBL1303423 0.78 PIK3CG (0.47) CYP3A4PIK3CAPIK3CGPIK3CDABL1
SCHEMBL1302829 0.76 RAB9A (0.64) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL1304344 0.75 PIK3CD (0.70) CLK1PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1303304 0.75 MAP3K5 (0.41) RAB9ANPC1DYRK1ACLK1PIK3CA

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-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 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-20100197682-A1 Organic Compounds PIK3CA, PI4KA, PI4KB RAB9A 2332/4885NPC1 1077/4885CYP1A2 3923/4885

“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.