SCHEMBL4727707

SCHEMBL4727707

NC1(CNc2cccc(C(F)(F)F)c2)CCN(c2ccnc3[nH]ccc23)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 9/20 0.52
KIT P10721 1/20 0.44
BTK Q06187 3/20 0.44
GSK3B P49841 1/20 0.43
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
MAPK14 Q16539 1/20 0.41
TNNI3K Q59H18 1/20 0.41
AKT1 P31749 1/20 0.41
GOT1 P17174 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
NUDT1 P36639 1/20 0.39
BCDIN3D Q7Z5W3 1/20 0.39
PBK Q96KB5 1/20 0.39
RET P07949 1/20 0.39

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
SCHEMBL4920000 0.80 AKT2 (0.69) AKT2GSK3BAKT1PBK
SCHEMBL4779830 0.77 AKT2 (0.52) AKT2GSK3BAKT1ROCK2NUDT1
SCHEMBL4779828 0.77 AKT2 (0.52) AKT2GSK3BAKT1ROCK2NUDT1
SCHEMBL4919196 0.76 AKT2 (0.61) AKT2GSK3BAKT1NUDT1PBK
SCHEMBL4776800 0.76 AKT1 (0.42) AKT2KITBTKAKT1BCDIN3D
SCHEMBL4780166 0.73 AKT1 (0.63) AKT2AKT1ROCK2
SCHEMBL4725174 0.73 AKT1 (0.63) AKT2AKT1ROCK2
SCHEMBL4778819 0.72 AKT1 (0.59) AKT2AKT1
SCHEMBL1002759 0.68 AKT2 (1.00) AKT2GSK3BAKT1ROCK2PBK
SCHEMBL857777 0.68 PTK6 (0.61) BTKBRAFKDRMAPK14TNNI3K

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 AKT2 1098/4885KIT 111/4885BTK 1216/4885

“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.