SCHEMBL2781969

SCHEMBL2781969

NCC1(c2cccc(-c3ccccc3)c2)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 9/20 0.66
GSK3B P49841 4/20 0.66
MERTK Q12866 8/20 0.59
AXL P30530 4/20 0.59
TYRO3 Q06418 3/20 0.59
JAK3 P52333 1/20 0.50

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
SCHEMBL3493948 0.93 AKT2 (0.63) AKT2GSK3BMERTKAXLTYRO3
SCHEMBL3490881 0.91 AKT2 (0.63) AKT2GSK3BMERTKAXLTYRO3
SCHEMBL2782083 0.90 AKT2 (0.59) AKT2GSK3BMERTKAXLTYRO3
SCHEMBL3492164 0.89 AXL (0.62) AKT2GSK3BMERTKAXLTYRO3
SCHEMBL3493066 0.89 AKT2 (0.60) AKT2GSK3BMERTKAXLTYRO3
SCHEMBL3492789 0.89 AKT2 (0.60) AKT2GSK3BMERTKAXLTYRO3
SCHEMBL3491325 0.88 AKT2 (0.59) AKT2GSK3BMERTKAXLTYRO3
SCHEMBL3491619 0.88 AKT2 (0.59) AKT2GSK3BMERTKAXLTYRO3
SCHEMBL3491375 0.87 AKT2 (0.60) AKT2GSK3BMERTKAXLTYRO3
SCHEMBL3492871 0.87 AKT2 (0.67) AKT2GSK3BJAK3

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-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
US-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
WO-2007125325-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 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-20100016340-A1 PHARMACEUTICAL COMPOUNDS PKN2, PKN1, CSNK1A1 AKT2 71/4885GSK3B 31/4885MERTK 1846/4885

“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.