SCHEMBL10169103

SCHEMBL10169103

CNc1nc(N[Si](C)(C)C(C)(C)C)nc2[nH]ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.38
PTK2 Q05397 6/20 0.35
PAK4 O96013 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
TTK P33981 2/20 0.33
ULK1 O75385 2/20 0.33
JAK2 O60674 5/20 0.33
BRD4 O60885 3/20 0.33
AURKA O14965 2/20 0.32
ABL1 P00519 2/20 0.32
NTRK1 P04629 2/20 0.32
RET P07949 2/20 0.32
FGFR1 P11362 2/20 0.32
KDR P35968 2/20 0.32
JAK3 P52333 2/20 0.32
ALK Q9UM73 2/20 0.32
SGK1 O00141 1/20 0.32
CHEK1 O14757 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKAB2 O43741 1/20 0.32

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
SCHEMBL19010659 0.81 TRIM58 (0.42) LRRK2PTK2PAK4IRAK4TTK
SCHEMBL8907430 0.81 AXL (0.34) LRRK2PTK2PAK4JAK2AURKA
SCHEMBL12736495 0.71 SYK (0.42) LRRK2PTK2KDRPDGFRBSYK
SCHEMBL19027156 0.70 PTK2 (0.42) LRRK2PTK2PAK4IRAK4ULK1
SCHEMBL10269254 0.69 TTBK1 (0.50) CLK2DYRK1AAURKBCLK4
SCHEMBL14287415 0.69 XDH (0.45) PTK2DYRK1A
SCHEMBL19010671 0.68 JAK2 (0.40) LRRK2PTK2PAK4IRAK4TTK
SCHEMBL24174684 0.67 JAK2 (0.37) LRRK2PTK2PAK4JAK2AURKA
SCHEMBL11956540 0.67 SMN1; SMN2 (0.33)
SCHEMBL19020333 0.66 PTK2 (0.48) PTK2JAK2AURKAABL1NTRK1

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-9351972-B2 Compounds as respiratory stimulants for treatment of breathing control disorders or diseases GALLEON PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-9351972-B2 Compounds as respiratory stimulants for treatment of breathing control disorders or diseases GALLEON PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20120142647-A1 Novel Compounds as Respiratory Stimulants for Treatment of Breathing Control Disorders or Diseases GALLEON PHARMACEUTICALS, INC. 2012-06-07 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-20120142647-A1 Novel Compounds as Respiratory Stimulants for Treatment of Breathing Control Disorders or Diseases MTNR1B, CHRM3, ADRA2C LRRK2 4643/4885PTK2 4849/4885PAK4 4077/4885

“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.