SCHEMBL1304196

SCHEMBL1304196

CCn1nnc(CCNC(=O)Nc2nc3ccc(Br)cc3s2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.54
PIK3CA P42336 2/20 0.54
PIK3CG P48736 2/20 0.54
PIK3CD O00329 1/20 0.54
PIK3CB P42338 1/20 0.54
CLK2 P49760 1/20 0.54
PI4KB Q9UBF8 1/20 0.54
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
DYRK1A Q13627 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
ABL1 P00519 7/20 0.48
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL1304043 0.89 RAB9A (0.47) CLK1PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1304430 0.86 RAB9A (0.52) CLK1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL1304344 0.81 PIK3CD (0.70) CLK1PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1303393 0.79 RAB9A (0.69) CLK1PIK3CAPIK3CGPIK3CDRAB9A
SCHEMBL1302829 0.78 RAB9A (0.64) CLK1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL3721333 0.77 RAB9A (0.52) CLK1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL1302984 0.76 ABL1 (0.65) CLK1PIK3CAPIK3CGRAB9ANPC1
SCHEMBL1304420 0.75 PIK3CG (0.44) CLK1PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL6068055 0.75 RAB9A (0.60) CLK1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL3711782 0.75 RAB9A (0.49) CLK1RAB9ANPC1CYP1A2CYP3A4

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 CLK1 390/4885PIK3CA 1/4885PIK3CG 11/4885

“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.