SCHEMBL4776800

SCHEMBL4776800

NC1(CNc2cccc(C(F)(F)F)c2)CCN(c2ncnc3[nH]cnc23)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.42
BTK Q06187 2/20 0.41
RPS6KB1 P23443 1/20 0.41
LIMK2 P53671 1/20 0.40
KIT P10721 1/20 0.40
AKT2 P31751 1/20 0.39
BCDIN3D Q7Z5W3 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL4780166 0.84 AKT1 (0.63) AKT1RPS6KB1LIMK2AKT2
SCHEMBL4725174 0.84 AKT1 (0.63) AKT1RPS6KB1LIMK2AKT2
SCHEMBL4778819 0.82 AKT1 (0.59) AKT1RPS6KB1LIMK2AKT2
SCHEMBL4727707 0.76 AKT2 (0.52) AKT1BTKKITAKT2BCDIN3D
SCHEMBL1002598 0.76 SLC6A4 (0.52) AKT1RPS6KB1LIMK2KITAKT2
SCHEMBL1791316 0.74 HTR3E (0.51) AKT1RPS6KB1ALDH1A1
SCHEMBL2782416 0.73 SLC6A4 (0.46) AKT1RPS6KB1KITAKT2ALDH1A1
SCHEMBL4727192 0.71 AKT1 (0.73) AKT1RPS6KB1LIMK2AKT2
SCHEMBL4778241 0.71 AKT1 (0.60) AKT1LIMK2AKT2
SCHEMBL3928238 0.70 AKT2 (0.57) AKT1BTKKITAKT2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. 2008-02-28 US disclosed
WO-2008012635-A2 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2008-01-31 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-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, CCND2, CCND1 AKT1 752/4885BTK 1216/4885RPS6KB1 1428/4885

“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.